0000000001017775

AUTHOR

Anssi Peuronen

showing 184 related works from this author

Sterically controlled self-assembly of tetrahedral M(6)L(4) cages via cationic N-donor ligands.

2014

Tripodal cationic N-donor ligands exhibit sterically controlled self-assembly of tetrahedral M6L4 coordination cages that promote selective anion encapsulation (PF6(-)OTf(-)) in the solid state. The described method is a potential template for stepwise assembly of hetero-ligand coordination cages and polymers.

chemistry.chemical_classificationSteric effectsChemistryMetals and AlloysSolid-stateCationic polymerizationGeneral ChemistryPolymerCombinatorial chemistryCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsMaterials ChemistryCeramics and CompositesTetrahedronSelf-assemblyta116Chemical communications (Cambridge, England)
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1-{2-[4-(4-Nitrophenyl)piperazin-1-yl]ethyl}-4-aza-1-azoniabicyclo[2.2.2]octane iodide

2012

The title compound, C18H28N5O2+·I−, was observed as a main product in an intended 1:1 reaction between 4-iodonitrobenzene and 1,4-diazabicyclo[2.2.2]octane (DABCO). In the reaction, DABCO undergoes a ring opening to yield a quaternary salt of DABCO and 1-ethyl-4-(4-nitrophenyl)piperazine with an iodide anion. The crystal structure determination was carried out as no crystal structure had been previously reported in the investigations describing the corresponding reaction with 4-chloronitrobenze. Indeed, the crystal structure of the title compound confirms the molecular composition proposed earlier for the analogous chloride salt. The cation conformation is similar to the …

chemistry.chemical_classificationCrystallographyIodideGeneral ChemistryDABCOCrystal structureCondensed Matter PhysicsBioinformaticsRing (chemistry)Organic PapersMedicinal chemistryChloridechemistry.chemical_compoundPiperazinechemistryQD901-999NitromedicineGeneral Materials Scienceta116Octanemedicine.drugActa Crystallographica Section E Structure Reports Online
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Dioxomolybdenum(VI) and -Tungsten(VI) Amino Bisphenolates as Epoxidation Catalysts

2016

Low-cost metallate salts Na2MO4·2H2O (M = molybdenum, tungsten) react with a tridentate amine bisphenol bis(2-hydroxy-3-tert-butyl-5-methylbenzyl)methylamine (H2ONOtBu) under ambient conditions in acidic methanol solutions. The reactions lead to the formation of isostructural dioxo complexes [MO2(ONOtBu)(MeOH)]·MeOH in convenient yields. Spectral data as well as X-ray analyses reveal these complexes to be isostructural. Both compounds were tested as catalysts for epoxidation of olefins using cis-cyclooctene, cyclohexene, norbornene and styrene as substrates and tert-butyl hydroperoxide and hydrogen peroxide as oxidants. The molybdenum complex catalyses selectively the oxidation of cis-cyclo…

tridentate ligands010405 organic chemistryCyclohexenemolybdenum complexesGeneral Chemistry010402 general chemistry01 natural sciencesCatalysis0104 chemical sciencesStyreneCatalysischemistry.chemical_compoundMetallatechemistryBenzoinkatalyysiepoxidationPolymer chemistryOrganic chemistryBenzilIsostructuraltungsten complexesNorborneneTopics in Catalysis
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Asymmetric Synthesis of Five-Membered Spiropyrazolones via N-Heterocyclic Carbene (NHC)-Catalyzed [3+2] Annulations

2016

A new synthetic strategy for the asymmetric synthesis of five-membered spiropyrazolones via N-heterocyclic carbene-catalyzed [3+2] annulations employing enals and unsaturated pyrazolones as substrates has been developed. The new protocol allows the flexible variation of all four substituents of the pharmaceutically important spiropyrazolones in moderate to very good yields and in most cases with excellent diastereoselectivities and good to excellent enantioselectivities.

chemistry.chemical_compoundchemistry010405 organic chemistryStereochemistryOrganic ChemistryEnantioselective synthesisPyrazolones010402 general chemistry01 natural sciencesCarbeneCatalysis0104 chemical sciencesCatalysisSynthesis
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Tetrameric and Dimeric [N∙∙∙I+∙∙∙N] Halogen-Bonded Supramolecular Cages

2017

Tripodal N-donor ligands are used to form halogen-bonded assemblies via structurally analogous Ag+-complexes. Selective formation of discrete tetrameric I6L4 and dimeric I3L2 halonium cages, wherein multiple [N∙∙∙I+∙∙∙N] halogen bonds are used in concert, can be achieved by using sterically rigidified cationic tris(1-methyl-1-azonia-4-azabicyclo[2.2.2]octane)-mesitylene ligand, L1(PF6)3, and flexible ligand 1,3,5-tris(imidazole-1-ylmethyl)-2,4,6-trimethylbenzene, L2, respectively. The iodonium cages, I6L14(PF6)18 and I3L22(PF6)3, were obtained through the [N∙∙∙Ag+∙∙∙N] → [N∙∙∙I+∙∙∙N] cation exchange reaction between the corresponding Ag6L14(PF6)18 and Ag3L22(PF6)3 coordination cages, prepar…

Steric effectssupramolecular cagesHalogen bond010405 organic chemistryStereochemistryLigandOrganic Chemistryhalogen bondsCationic polymerizationSupramolecular chemistryGeneral Chemistry010402 general chemistry01 natural sciencesCatalysis0104 chemical scienceschemistry.chemical_compoundCrystallographychemistryHalogenHalonium ionta116OctaneChemistry: A European Journal
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Amide functionalized aminobisphenolato MoO2 and WO2 complexes: Synthesis, characterization, and alkene epoxidation catalysis

2023

The use of dioxidomolybdenum(vi) and -tungsten(vi) complexes supported by a variety of structurally different tri- and tetradentate aminobisphenolato ligands as pre-catalysts in the epoxidation of alkenes is well established. However, under the widely used standard 1 mol-% catalyst loadings these types of complexes generally show modest activity only. Recently, amide functionalities in the ligand design of various aminomonophenolato MoO2 complexes have been shown to lead to heightened catalytic activity in alkene epoxidation. In this paper we show that similar ligand amide functionalization can lead to significant enhancement in the alkene epoxidation activity of aminobisphenolato MoO2 comp…

Historyhapetusdioxidotungsten(VI)Polymers and PlasticsProcess Chemistry and TechnologyvolframikompleksiyhdisteetIndustrial and Manufacturing Engineeringdioxidomolybdenum(VI)Catalysiskatalyytitalkene epoxidationBusiness and International ManagementalkeenitPhysical and Theoretical Chemistrymolybdeeniaminobisphenolato ligandsMolecular Catalysis
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Synthesis, NMR spectral and single crystal X-ray structural studies on Ni(II) dithiocarbamates. Fabrication of nickel sulfide nanospheres by the solv…

2014

Abstract Three dithiocarbamatonickel(II) complexes, [Ni(bzbudtc)2] (1), [Ni(bzbudtc)(PPh3)(NCS)] (2) and [Ni(bzbudtc)(PPh3)(CN)] (3) (where, bzbudtc = the N-benzyl-N-butyldithiocarbamato anion and PPh3 = triphenylphosphine), were prepared. All three complexes were analyzed by UV–Vis, IR and NMR (1H, 13C and 31P) spectra. The 13C NMR spectra of complexes 1–3 show the most crucial thioureide signal at around 200 ppm. A significant deshielding observed for the 31P signals in 2 and 3 reveals the effective bonding of phosphorus to the metal center. Single crystal X-ray analysis of crystals of 1–3 show that all the described complexes exhibit a distorted square planar coordination geometry in the…

Nickel sulfideLigandchemistry.chemical_elementCarbon-13 NMRBite angleInorganic ChemistryNickelCrystallographychemistry.chemical_compoundchemistryX-ray crystallographyMaterials ChemistryPhysical and Theoretical Chemistryta116Single crystalCoordination geometryPolyhedron
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Phase selective synthesis of ZnS nanoparticles from structurally new dithiocarbamate precursor

2015

Abstract A phase selective solvothermal synthesis of ZnS (wurzite) nanoparticles with a flower-like morphology using a dithiocarbamate precursor, [Zn(4-dpmpzdtc)2(dpmpz)] (1) (where, dpmpz=(diphenylmethyl)piperazine), is described. The nanoparticles were identified as ZnS (wurzite) with the particle size of about 3 to 10 nm by scanning and transmission electron microscopy as well as powder X-ray diffraction (XRD). In addition, the precursor complex 1 was characterized using single crystal X-ray diffraction.

chemistry.chemical_classificationcrystal structureMaterials sciencesynthesisMechanical EngineeringSolvothermal synthesisInorganic chemistryNanoparticleCrystal structureCondensed Matter PhysicsPiperazinechemistry.chemical_compoundchemistryMechanics of MaterialsTransmission electron microscopyPhase (matter)solvothermalwurziteGeneral Materials SciencenanoparticlesDithiocarbamateSingle crystalta116Nuclear chemistryMaterials Letters
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Enantioselective Total Syntheses of (+)-Hippolachnin A, (+)-Gracilioether A, (-)-Gracilioether E, and (-)-Gracilioether F.

2018

The Plakortin polyketides represent a structurally and biologically fascinating class of marine natural products. Herein, we report a unified strategy that enables the divergent syntheses of various Plakortin polyketides with high step-economy and overall efficiency. As proof-of-concept cases, the enantioselective total syntheses of (+)-hippolachnin A, (+)-gracilioether A, (-)-gracilioether E, and (-)-gracilioether F have been accomplished based on a series of bio-inspired, rationally designed, or serendipitously discovered transformations, which include (1) an organocatalytic asymmetric 1,4-conjugate addition to assemble the common chiral γ-butenolide intermediate enroute to all of the afo…

Plakortin polyketides010405 organic chemistryStereochemistryEnantioselective synthesisdivergent synthesesEtherGeneral Chemistry010402 general chemistry01 natural sciencesBiochemistryCatalysis0104 chemical scienceschemistry.chemical_compoundColloid and Surface ChemistrychemistryGracilioether FGracilioether EOxidative cleavageta116Overall efficiencyJournal of the American Chemical Society
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Pyrazolium- and 1,2-Cyclopentadiene-Based Ligands as σ-Donors: a Theoretical Study of Electronic Structure and Bonding

2012

A high-level theoretical investigation of 1,2-cyclopentadiene (4) was performed using density functional theory and wave function methods. The results reveal that, in contrast to earlier assumptions, the ground state of this ephemeral “allene” is carbene-like with a small diradical component. Furthermore, the electronic structure and chemistry of 4 are found to parallel that of 1,2,4,6-cycloheptatetraene: both molecules possess a low-lying excited singlet state with a closed-shell carbenic structure, enabling rich coordination chemistry. Energy decomposition analyses conducted for currently unknown metal complexes of 4 as well as those involving stable carbenes based on the pyrazolium frame…

CyclopentadieneChemistrysyklopentadieeniContrast (music)Electronic structurecyclopentadieneCombinatorial chemistryelektronirakenneInorganic Chemistrychemistry.chemical_compoundComputational chemistrymetal complexes electronic structureDensity functional theoryPhysical and Theoretical ChemistryWave functionta116metallikompleksitInorganic Chemistry
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A diamagnetic iron complex and its twisted sister – structural evidence on partial spin state change in a crystalline iron complex

2021

We report here the syntheses of a diamagnetic Fe complex [Fe(HL)2] (1), prepared by reacting a redox non-innocent ligand precursor N,N′-bis(3,5-di-tert-butyl-2-hydroxy-phenyl)-1,2-phenylenediamine (H4L) with FeCl3, and its phenoxazine derivative [Fe(L′)2] (2), which was obtained via intra-ligand cyclisation of the parent complex. Magnetic measurements, accompanied by spectroscopic, structural and computational analyses show that 1 can be viewed as a rather unusual Fe(III) complex with a diamagnetic ground state in the studied temperature range due to a strong antiferromagnetic coupling between the low-spin Fe(III) ion and a radical ligand. For a paramagnetic high-spin Fe(II) complex 2 it wa…

Materials scienceSpin states010405 organic chemistryLigand010402 general chemistry01 natural sciences0104 chemical sciencesInorganic ChemistryParamagnetismCrystallographyCrystallinityUnpaired electronDiamagnetismGround stateSingle crystalDalton Transactions
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Vanadium complexes with multidentate amine bisphenols

2014

The reaction of VO(acac)2 (acac(-) = acetyl acetonate) with tripodal glycine bisphenol H3L(1) under an ambient atmosphere yields a hexacoordinated vanadium(iv) complex [V(acac)(L(1))] (1). The corresponding reactions with tripodal 2-propanolamine bisphenol H3L(2) and potentially pentadentate ethoxyethanolamine bisphenol H3L(3) lead to the oxidation of the metal centre and formation of mononuclear oxovanadium(v) complexes [VO(L(2))] (2) and [VO(L(3))] (3), respectively. Alternatively, these latter two complexes can be prepared using VOSO4·5H2O or VO(OPr)3 as a precursor. The CV of 1 in an ACN solution shows a reversible one-electron process at E1/2 = +1.18 V, whereas 2 and 3 have an irrevers…

DenticityBisphenolChemistryInorganic chemistryVanadiumchemistry.chemical_elementModerate activityRedoxInorganic ChemistryMetalvisual_artPolymer chemistryGlycinevisual_art.visual_art_mediumAmine gas treatingta116Dalton Transactions
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Synthesis, NMR spectral and structural studies on mixed ligand complexes of Pd(II) dithiocarbamates: First structural report on palladium(II) dithioc…

2016

Abstract Three new mixed ligand complexes of palladium(II) dithiocarbamates; [Pd(4-dpmpzdtc)(PPh3)(SCN)] (1), [Pd(4-dpmpzdtc)(PPh3)Cl] (2) and [Pd(bzbudtc)(PPh3)Cl] (3), (where, 4-dpmpzdtc = 4-(diphenylmethyl)piperazinecarbodithioato anion, bzbudtc = N-benzyl-N-butyldithiocarbamato anion and PPh3 = triphenylphosphine) have been synthesized from their respective parent dithiocarbamates by ligand exchange reactions and characterized by IR and NMR (1H, 13C and 31P) spectroscopy. IR and NMR spectral data support the isobidentate coordination of the dithiocarbamate ligands in all complexes (1–3) in solid and in solution, respectively. Single crystal diffraction analysis of complexes 1–3 evidence…

palladium(II)synthesisStereochemistrychemistry.chemical_element010402 general chemistry01 natural sciencesSingle Crystal DiffractionAnalytical ChemistryIonInorganic Chemistryligand exchange reactionsDithiocarbamateSpectral dataSpectroscopyta116Spectroscopysingle crystal X-ray diffractionchemistry.chemical_classification010405 organic chemistryChemistryLigandOrganic ChemistryMixed ligandNMR0104 chemical sciencesCrystallographyPalladiumJournal of Molecular Structure
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Oxidovanadium(V) amine bisphenolates as epoxidation, sulfoxidation and catechol oxidation catalysts

2017

Air-stable oxidovanadium(V) complexes with tetradentate amine bisphenolate ligands were made by the reaction of VOSO4·xH2O and ligand precursors in MeOH solutions. Isolated compounds were studied as catechol oxidase models as well as catalysts for epoxidation and sulfoxidation reactions. All compounds can catalyse such oxidation reactions without notable structure-activity correlations. The 51V NMR studies indicate that the complexes turn to the number of different species during the catalytic experiments. peerReviewed

010402 general chemistry01 natural sciencesRedoxvanadiiniCatalysisInorganic ChemistryTurn (biochemistry)chemistry.chemical_compoundMaterials ChemistryOrganic chemistryPhysical and Theoretical ChemistryCatechol oxidaseta216ta116Catecholbiologycatalysis010405 organic chemistryLigandoxo transferbiomimetic0104 chemical scienceschemistrykatalyysibiology.proteinvanadiumAmine gas treatingInorganic Chemistry Communications
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Thermal, spectroscopic and crystallographic analysis of mannose-derived linear polyols

2018

The major diastereomer formed in the Barbier-type metal-mediated allylation of D-mannose has previously been shown to adopt a perfectly linear conformation, both in solid state and in solution, resulting in the formation of hydrogen-bonded networks and subsequent aggregation from aqueous solution upon stirring. Here, a comprehensive study of the solid state structure of both the allylated D-mannose and its racemic form has been conducted. The binary melting point diagram of the system was determined by differential scanning calorimetry analysis, and the obtained results, along with structure determination by single crystal X-ray diffraction, confirmed that allylated mannose forms a true rac…

DiffractionMaterials science010402 general chemistry01 natural sciencesDifferential scanning calorimetryNMR spectroscopycrystalsGeneral Materials SciencekalorimetriaNMR-spektroskopiata116x-ray crystallographyAqueous solution010405 organic chemistryDiastereomerGeneral ChemistryCondensed Matter Physicskiteet0104 chemical sciencessokerialkoholitCrystallographysugar alcoholsPolymorphism (materials science)Melting pointEnantiomerSingle crystalcalorimetryröntgenkristallografia
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Metal-bound Nitrate Anion as an Acceptor for Halogen Bonds in mono-Halopyridine-Copper(II) nitrate Complexes

2019

Fifteen n-halopyridine-Cu(NO3)2 complexes (n = 2, 3, 4) obtained from two different solvents, acetonitrile and ethanol, are investigated for C–X···O–N halogen bonds (XBs) in the solid state by single and powder X-ray diffraction. The nitrate anions bind copper(II) via anisobidentate modes and one of three oxygens act as an XB acceptor to halogens on the core pyridine rings. The N-metal coordination activates the electron-deficient π-system and triggers even C2- and C4-chlorines in the corresponding [Cu(2-chloropyridine)2(NO3)2] and [Cu(4-chloropyridine)2(NO3)2(ACN)] complexes to form short C–Cl2/Cl4···O–N halogen bonds. Notably, the C2–Cl2···O–N XBs with a normalized XB distance parameter (…

Ethanol010405 organic chemistryhalogen bondsSolid-stateNitrate anionGeneral Chemistry010402 general chemistryCondensed Matter Physics01 natural sciencesAcceptor3. Good health0104 chemical sciencesMetalchemistry.chemical_compoundchemistryvisual_artPolymer chemistryHalogenCopper(II) nitratevisual_art.visual_art_mediumGeneral Materials ScienceAcetonitrile
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Synthesis and characterisation of p-block complexes of biquinoline at different ligand charge states

2017

The first examples of p-block coordination complexes of biquinoline, namely [(biq)BCl2]Cl and [(biq)BCl2]˙, were synthesized and structurally characterized. The acquired data allowed the estimation of the ligand charge state based on its metrical parameters. The subsequent use of this protocol, augmented with theoretical calculations, revealed ambiguities in the published data for transition metal complexes of biquinoline. peerReviewed

Inorganic ChemistryCrystallographyTransition metal010405 organic chemistryChemistryLigandCharge (physics)p-block complexes010402 general chemistryBlock (periodic table)01 natural sciencesta1160104 chemical sciencesDalton Transactions
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Synthesis of new hybrid 1,4-thiazinyl-1,2,3-dithiazolyl radicals via Smiles rearrangement

2017

The condensation reaction of 2-aminobenzenethiols and 3-aminopyrazinethiols with 2-amino-6-fluoro-N-methylpyridinium triflate afforded thioether derivatives that were found to undergo Smiles rearrangement and cyclocondensation with sulphur monochloride to yield new hybrid 1,4-thiazine-1,2,3-dithiazolylium cations. The synthesized cations were readily reduced to the corresponding stable neutral radicals with spin densities delocalized over both 1,4-thiazinyl and 1,2,3-dithiazolyl moieties. peerReviewed

synthesis010405 organic chemistryChemistryRadical12010402 general chemistryPhotochemistryCondensation reaction01 natural sciences0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundDelocalized electron14-thiazinyl-123-dithiazolyl radicalsThioether4-thiazinyl-1Smiles rearrangementYield (chemistry)Polymer chemistrysynteesiSmiles rearrangementTrifluoromethanesulfonateta1163-dithiazolyl radicalsDalton Transactions
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Organocatalytic Asymmetric Synthesis of 2,3′-Connected Bis-Indolinones by Mannich Reactions of N-Acetylindolin-3-ones with Isatin N-Boc Ketimines

2017

A highly diastereo- and enantioselective Mannich reaction of N-acetylindolin-3-ones with isatin N-Boc ketimines to form 2,3′-connected bis-indolinones is developed employing a low loading of a readily available bifunctional thiourea catalyst. The asymmetric synthesis connects two indolinones via a vic-diamine unit and generates two neighboring stereocenters.

010405 organic chemistryStereochemistryIsatinOrganic ChemistryEnantioselective synthesis010402 general chemistry01 natural sciencesMedicinal chemistryCatalysis0104 chemical sciencesStereocenterchemistry.chemical_compoundchemistryThioureaOrganocatalysisDiamineBifunctionalMannich reactionSynthesis
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Halogen bonds in 2,5-dihalopyridine-copper(II) chloride complexes

2018

Ten coordination complexes obtained through a facile reaction between 2,5-dihalopyridines and copper(II) chloride (CuCl2) are characterized using single crystal X-ray diffraction. Two series of dihalopyridine complexes based on 2-chloro-5-X-pyridine and 2-bromo-5-X-pyridine (X = F, Cl, Br and I) were prepared to analyze the C–X2/X5⋯Cl–Cu halogen bonds (XB). The influence of X2- and X5-substituents on the respective interactions was examined by comparing them to the X2/X3⋯Cl–Cu XBs found in mono-substituted halopyridine complexes, (n-X-pyridine)2·CuCl2 (n = 2, 3 and X = Cl, Br and I). Varying the X5-halogens in (2,5-dihalopyridine)2·CuCl2, the C5–X5⋯Cl–Cu XBs follow the order F5 1 and they c…

010405 organic chemistryChemistrySubstituentchemistry.chemical_elementGeneral Chemistrykompleksiyhdisteet010402 general chemistryCondensed Matter Physics01 natural sciencesChlorideCopperchemical bonds0104 chemical scienceschemistry.chemical_compoundCrystallographykemialliset sidoksetHalogenmedicineCopper(II) chlorideGeneral Materials Sciencecoordination complexesPolarization (electrochemistry)Single crystalta116medicine.drugCrystEngComm
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Aminobisphenolate supported tungsten disulphido and dithiolene complexes

2015

Dioxotungsten(vi) complexes with tetradentate amino bisphenolates were converted into the corresponding Cs-symmetric amino bisphenolate disulphido complexes by a reaction with either Lawesson's reagent or P2S5. Further reaction with diethyl acetylenedicarboxylate leads to the formation of diamagnetic tungsten(iv) dithiolene compounds. The syntheses, crystal structures, spectroscopic and electrochemical characterization of such disulphido and dithiolene complexes are presented.

Models MolecularInorganic chemistryMolecular Conformationchemistry.chemical_elementOxidestungsten disulphidoCrystal structureSulfidesTungstenElectrochemistryTungstenInorganic ChemistryDiethyl acetylenedicarboxylatechemistryReagentPolymer chemistryElectrochemistryHydroxybenzoatesOrganometallic Compoundsdithiolene complexesta116Dalton Transactions
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Charge-Assisted Halogen Bonding in an Ionic Cavity of a Coordination Cage Based on a Copper(I) Iodide Cluster.

2023

The design of molecular containers capable of selective binding of specific guest molecules presents an interesting synthetic challenge in supramolecular chemistry. Here, we report the synthesis and structure of a coordination cage assembled from Cu3I4– clusters and tripodal cationic N-donor ligands. Owing to the localized permanent charges in the ligand core the cage binds iodide anions in specific regions within the cage by ionic interactions. This allows the selective binding of bromomethanes as secondary guest species within cage promoted by halogen bonding, which was confirmed by single crystal X-ray diffraction. peerReviewed

jodikemialliset sidoksetkoordinaatiohäkithalogeenitsupramolekulaarinen kemiacluster compoundshalogen bondkupariGeneral Medicinecoordination cageGeneral ChemistryCatalysishost-guest systemsAngewandte Chemie (International ed. in English)
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The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium…

2009

In this study, ten new dibenzyldimethyl/ethyl ammonium chloridopalladate(II) compounds with five different cations and two anions have been synthesized and a simple method for a synthesis, in which hydrochloric acid solutions are used, has been described. Furthermore, twelve structures including two polymorphs have been obtained from hydrochloric and methanol/acetonitrile solutions. The anion–cation and cation–cation interactions of the synthesized compounds have been studied mainly by means of single X-ray diffraction in order to study the effects of varying either the anion or the cations in these QA2PdCl4 and QA2Pd2Cl6 salts. The results indicate that the effects of intermolecular cation…

ChemistryStereochemistryIntermolecular forceHydrochloric acidGeneral ChemistryCondensed Matter PhysicsIonCrystallographychemistry.chemical_compoundMonomerPolymorphism (materials science)General Materials ScienceAmmoniumMethanolAcetonitrileCrystEngComm
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Highly Enantioselective Kinetic Resolution of Michael Adducts through N-Heterocyclic Carbene Catalysis: An Efficient Asymmetric Route to Cyclohexenes

2018

Ahighly efficient strategy for the kinetic resolu-tion of Michael adductswas realized using achiral N-het-erocyclic carbene catalyst.The kinetic resolution providesanew convenientroute to single diastereomers of cyclo-hexenes and Michael adducts in good yields with highenantiomeric excesses (up to 99 % ee with aselectivityfactor of up to 458). This “two flies with one swat” con-cept allows the synthesis of these two synthetically valua-ble compound classes at the same time by asingle trans-formation. peerReviewed

Cyclohexenesasymmetric synthesis010402 general chemistry01 natural sciencesCatalysisCatalysisKinetic resolutionMichael adductschemistry.chemical_compoundkinetic resolutionN-heterocyclic carbenesta116orgaaniset yhdisteetkemiallinen synteesi010405 organic chemistryOrganic ChemistryDiastereomerEnantioselective synthesisGeneral ChemistryCombinatorial chemistry0104 chemical scienceschemistrycyclohexenesEnantiomerSelectivityCarbeneChemistry - A European Journal
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N-Heterocyclic Carbene-Catalyzed Activation of α-Chloroaldehydes: Asymmetric Synthesis of 5-Cyano-Substituted Dihydropyranones

2017

An N-heterocyclic carbene (NHC)-catalyzed asymmetric [4+2] annulation of (E)-2-benzoyl-3-phenylacrylonitriles with α-chloroaldehydes has been developed. The protocol leads to 5-cyano-substituted dihydropyranones in good to excellent yields with excellent diastereo- and enantioselectivities (up to 93% yield, >20:1 d.r. and 99% ee).

Annulation010405 organic chemistryChemistryOrganic ChemistryEnantioselective synthesis010402 general chemistry01 natural sciencesCatalysis0104 chemical sciencesCatalysischemistry.chemical_compoundOrganocatalysisYield (chemistry)Organic chemistryCarbeneSynthesis
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One‐pot synthesis of [2+2]‐helicate‐like macrocycle and 2+4‐μ 4 ‐oxo tetranuclear open frame complexes: Chiroptical properties and asymmetric oxidati…

2020

Inorganic Chemistry010405 organic chemistryChemistryPolymer chemistryFrame (networking)One-pot synthesisOxidative coupling of methaneGeneral ChemistrySelf-assembly010402 general chemistry01 natural sciences0104 chemical sciencesApplied Organometallic Chemistry
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Do Extremely Bent Allenes Exist?

2009

Bent allenes: Theoretical calculations show that extremely bent allenes, cyclic or acyclic, adopt a ground state that only bears a formal relationship to classical allenes. Consequently, five-membered ring allenes favor a carbene-like electronic structure and formally contain a trivalent carbon(II) center. peerReviewed

bent allenesChemistryComputational chemistryOrganic ChemistryBent molecular geometryGeneral ChemistryElectronic structurePhysics::Chemical Physicstaipuneet alleenitelectronic structureCatalysiselektronirakenneChemistry - A European Journal
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The Syntheses and Vibrational Spectra of 16 O- and 18 O-Enriched cis -MO2 (M=Mo, W) Complexes

2018

isotopologuestungsten010405 organic chemistrytiheysfunktionaaliteoriachemistry.chemical_elementkompleksiyhdisteetvolframiGeneral ChemistryTungsten010402 general chemistryDFT01 natural sciences0104 chemical sciencesmolybdenumchemistryMolybdenumPhysical chemistryIsotopologuevibrational spectramolybdeenita116Vibrational spectraChemistrySelect
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Cover Feature: Highly Enantioselective Kinetic Resolution of Michael Adducts through N-Heterocyclic Carbene Catalysis: An Efficient Asymmetric Route …

2018

ChemistryCyclohexenesOrganic ChemistryEnantioselective synthesisGeneral ChemistryCatalysisCatalysisAdductKinetic resolutionchemistry.chemical_compoundComputational chemistryFeature (computer vision)Cover (algebra)CarbeneChemistry - A European Journal
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Frontispiece: Positive Allosteric Control of Guests Encapsulation by Metal Binding to Covalent Porphyrin Cages

2019

chemistry.chemical_compoundchemistryCovalent bondMetal bindingOrganic ChemistryAllosteric regulationSupramolecular chemistryGeneral ChemistryCombinatorial chemistryPorphyrinCatalysisEncapsulation (networking)Chemistry - A European Journal
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Positive Allosteric Control of Guests Encapsulation by Metal Binding to Covalent Porphyrin Cages

2018

The allosteric control of the receptor properties of two flexible covalent cages is reported. These receptors consist of two zinc(II) porphyrins connected by four linkers of two different sizes, each incorporating two 1,2,3‐triazolyl ligands. Silver(I) ions act as effectors, responsible for an on/off encapsulation mechanism of neutral guest molecules. Binding silver(I) ions to the triazoles opens the cages and triggers the coordination of pyrazine or the encapsulation of N,N′‐dibutyl‐1,4,5,8‐naphthalene diimide. The X‐ray structure of the silver(I)‐complexed receptor with short connectors is reported, revealing the hollow structure with a cavity well‐defined by two eclipsed porphyrins. Rath…

PyrazineAllosteric regulationSupramolecular chemistryCrystal structure010402 general chemistryporphyrins01 natural sciencessupramolecular chemistryCatalysischemistry.chemical_compoundDiimidesupramolekulaarinen kemiaMoleculeta116010405 organic chemistryallosteric controlOrganic Chemistryhost–guest systemsGeneral ChemistryPorphyrin3. Good health0104 chemical sciencesCrystallographychemistryCovalent bondcage compounds[CHIM.OTHE]Chemical Sciences/Other
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Single crystal X-ray structural dataset of 1,2,4-dithiazolium tetrafluoroborate

2022

Herein, we present the crystallographic dataset of 1,2,4-dithiazolium tetrafluoroborate. Single crystal X-ray structural analysis evidences that the 1,2,4-dithiazolium ring is almost planar. The 1,2,4-dithiazolium and tetrafluoroborate ions contribute in hydrogen bonding wherein the N-H·N hydrogen bonding in 1,2,4-dithiazolium dimer forms an eight-membered pseudo ring with the R22(8) Etter's graph set. The information provided in this data contributes to the understanding of structural chemistry and hydrogen bonding interactions in dithiazole derivatives.

crystal structurehydrogen bondkemialliset sidoksetMultidisciplinaryvetysidoksetdata124-Dithiazoliumheterosykliset yhdisteetheterocycle
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Oxidovanadium(v) complexes with l-proline-based amino acid phenolates

2019

Abstract l -proline was used to prepare chiral, tridentate amino acid phenol proligands H2L1–4. These proligands react with vanadium precursors VO(acac)2, VOSO4∙5H2O and VO(OPr)3 in methanol to form the corresponding oxidoalkoxidovanadium( v ) complexes 1–4. The complexes crystallize from methanol, and are octahedrally coordinated with a general formula [VO(L1–4)(OMe)(MeOH)]. In solution, however, they adopt several different conformations or isomeric structures depending on the solvent.

fenolitVanadiumchemistry.chemical_elementphenolsaminohapot010402 general chemistry01 natural sciencesMedicinal chemistryvanadiiniInorganic Chemistrychemistry.chemical_compoundMaterials ChemistryPhenolcoordination complexesProlinePhysical and Theoretical Chemistryta216ta116chemistry.chemical_classificationamino acids010405 organic chemistrykompleksiyhdisteet0104 chemical sciencesAmino acidSolventchemistryvanadiumMethanolInorganica Chimica Acta
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Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids

2013

Understanding the self-assembly of small structural units into large supramolecular assemblies remains one of the great challenges in structural chemistry. We have discovered that tetrahedral supramolecular cages, exhibiting the shapes of Archimedean solids, can be self-assembled by hydrogen bonding interactions using tricationic N-donors (1 or 2) in cooperation with water (W). Single crystal X-ray analysis shows that cage (2)4(W)6, assembled in an aqueous solution of cation 2 and KPF6, consists of four tripodal trications linked by six water monomers and resembles the shape of a truncated tetrahedron. Similarly, cage (1)4(W6)4 spontaneously self-assembles in an aqueous solution of cation 1…

Aqueous solutionHydrogen bondChemistryCrystal chemistrySupramolecular chemistryGeneral ChemistryCondensed Matter PhysicsArchimedean solidCrystallographysymbols.namesakeTruncated tetrahedronTetrahedronsymbolsGeneral Materials ScienceSelf-assemblyta116Crystal Growth & Design
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Spectral and structural studies on Ni(II) dithiocarbamates: Nickel sulfide nanoparticles from a dithiocarbamate precursor

2015

Abstract Three new planar Ni(II) dithiocarbamate complexes; [Ni(4-dpmpzdtc)2] (1), [Ni(4-dpmpzdtc)(PPh3)(NCS)] (2) and [Ni(bupcbzdtc)(PPh3)(NCS)] (3) (where, 4-dpmpzdtc = 4-(diphenylmethyl)piperazinecarbodithioato anion, bupcbzdtc = N-butyl-N-(4-chlorobenzyl))dithiocarbamato anion and PPh3 = triphenylphosphine) with “NiS4” and “NiS2PN” chromophore units were synthesized and characterized by single crystal X-ray structural analysis as well as UV–Vis, IR and NMR (1H, 13C and 31P) spectroscopy. For 2, 1H–1H COSY spectrum was also recorded. Single crystal X-ray structural analysis of 1–3, reveals a slightly distorted square planar geometry in all three complexes wherein the steric and electroni…

Steric effectschemistry.chemical_classificationNickel sulfidesynthesisChemistrySolvothermal synthesisInorganic chemistryNanoparticlesingle crystal XRDChromophoreInorganic ChemistrydithiocarbamateCrystallographychemistry.chemical_compoundSEMTEMMaterials Chemistrynickel sulfidePhysical and Theoretical ChemistrySpectroscopyDithiocarbamateta116Single crystalInorganica Chimica Acta
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Facile fabrication of flower like self-assembled mesoporous hierarchical microarchitectures of In(OH)3 and In2O3: In(OH)3 micro flowers with electron…

2016

Abstract A template and capping-reagent free facile fabrication method for mesoporous hierarchical microarchitectures of flower-like In(OH) 3 particles under benign hydrothermal conditions is reported. Calcination of In(OH) 3 to In 2 O 3 with the retention of morphology is also described. Both In(OH) 3 and In 2 O 3 microstructures were analyzed with SEM, EDX, TEM and powder X-ray diffraction. The crystal sizes for In(OH) 3 and In 2 O 3 were calculated using the Scherrer equation. In In(OH) 3 the thin flakes at the periphery of micro flowers were electron beam sensitive. The mechanism of self-assembly process was analyzed as well.

DiffractionMaterials scienceFabricationmicrostructureNanotechnologysemiconductors02 engineering and technology010402 general chemistry01 natural sciencesHydrothermal circulationlaw.inventionCrystallawpuolijohteetGeneral Materials ScienceCalcinationta116Scherrer equationmicroporous materials021001 nanoscience & nanotechnologyCondensed Matter PhysicsMicrostructure0104 chemical sciencesChemical engineeringoxidesoksidit0210 nano-technologyMesoporous material
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NIR-absorbing transition metal complexes with redox-active ligands

2020

Bench top stable transition metal (M = Co, Ni, Cu) complexes with a non-innocent ortho-aminophenol derivative were synthesized by the reaction of metal(II)acetates with a ligand precursor in 2:1 ratio. The solid-state structures reveal the formation of neutral molecular complexes with square planar coordination geometries. The Co(II) and Cu(II) complexes are paramagnetic, whereas the Ni complex is a diamagnetic square planar low-spin Ni(II) complex. All complexes, and Ni(II) complex in particular, show strong absorption in the near-IR region. Peer reviewed

02 engineering and technologymetal complexesredox-active ligands010402 general chemistry01 natural sciencesInorganic ChemistryMetalParamagnetismchemistry.chemical_compoundTransition metalinfrapunasäteilyMaterials ChemistryPhysical and Theoretical Chemistrynear-IR absorptionChemistryLigandnon-innocent ligandsliganditkompleksiyhdisteet021001 nanoscience & nanotechnologyNon-innocent ligand0104 chemical sciences3. Good healthabsorptioCrystallographyvisual_artvisual_art.visual_art_mediumDiamagnetismAbsorption (chemistry)0210 nano-technologyDerivative (chemistry)
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Synthesis, characterization, crystal structures and biological screening of 4-amino quinazoline sulfonamide derivatives

2019

Three quinazolin-4-ylamino derivatives containing phenylbenzenesulfonamides (7a-7c) were synthesized by reacting (E)-N'-(2-cyanophenyl)-N,N-dimethyl formamidine (6) with different 4- amino-N-(phenyl)benzenesulfonamides (4a-4c) and characterized by different techniques such as HRMS, IR, 1H NMR and 13C NMR spectroscopy. The structural properties were further examined by single crystal X-ray diffraction method. The X-ray data shows that compounds 7a and 7c contain two molecules and 7b contains one molecule in the asymmetric unit. Comparison of conformation of two distinct molecules, “A” and “B”, in the asymmetric unit of 7a and 7c were studied with the aid of reported literature. The in vitro …

antiproliferative activitycrystal structurearomaattiset yhdisteetStereochemistryX-ray-diffractionCrystal structure010402 general chemistry01 natural sciencesAnalytical ChemistryInorganic Chemistrychemistry.chemical_compoundQuinazolineMoleculeta116Spectroscopychemistry.chemical_classificationantimikrobiset yhdisteetkemiallinen synteesi010405 organic chemistryOrganic Chemistryta1182Antimicrobialquinazoline-sulfonamide0104 chemical sciencesSulfonamidechemistryX-ray crystallographysolunsalpaajatProton NMRantimicrobialSingle crystal
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Dioxidomolybdenum(VI) and –tungsten(VI) complexes with tetradentate amino bisphenolates as catalysts for epoxidation

2017

Sixteen molybdenum and tungsten complexes with tripodal or linear tetradentate amino bisphenol ligands were studied as catalysts for the epoxidation of cis-cyclooctene, 1-octene, styrene, limonene and α-terpineol. These complexes can be divided into different categories upon key features, i.e. central metal (Mo versus W), side-arm donor (O versus N), hybridization of the N-donor (pyridine versus amine), ligand geometry (tripodal versus linear diamine) and sterical hindrance (Me versus tert-Bu substituents in the phenol part). All complexes can catalyse selectively the epoxidation of cis-cyclooctene by tert-butylhydroperoxide whereas the activities and selectivities towards other olefins (1-…

kemiastyreenichemistry.chemical_elementHomogeneous catalysisaminohapotchemistry010402 general chemistry01 natural sciencesMedicinal chemistrycatalystsCatalysisStyreneInorganic Chemistrychemistry.chemical_compoundkatalyytitDiaminePyridineMaterials ChemistryOrganic chemistryhydrocarbonsPhysical and Theoretical Chemistryta116amino acids010405 organic chemistryLigandhiilivedyt0104 chemical scienceschemistryMolybdenumstyreneAmine gas treatingPolyhedron
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Halogen Bonding Based “Catch and Release”: Reversible Solid State Entrapment of Elemental Iodine with Mono-Alkylated DABCO Salts

2012

The halogen bonding (XB) between elemental iodine (I2) and neutral 1,4-diazabicyclo[2.2.2]octane (DABCO) and its monoalkylated PF6– salts was studied by X-ray crystallographic, thermoanalytical, and computational methods. DABCO was found to form both 1:1 and 1:2 complexes with I2 showing an exceptionally strong halogen bond (ΔEcp = −73.0 kJ/mol) with extremely short N···I distance (2.37 A) in the 1:1 complex (1a). In the more favored 1:2 complex (1b), the XB interaction was found to be slightly weaker [ΔEcp = −64.4 kJ/mol and d(N···I) = 2.42 A] as compared to 1a. The monoalkylated DABCO salts (2PF6–7PF6) form corresponding 1:1 XB complexes with I2 {[2···I2]PF6–([7···I2]PF6} similarly to the…

chemistry.chemical_classificationHalogen bondFree baseGeneral ChemistryDABCOCrystal structureCondensed Matter Physicschemistry.chemical_compoundCrystallographychemistryHalogenOrganic chemistryGeneral Materials ScienceThermal analysista116AlkylOctaneCRYSTAL CROWTH & DESIGN
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From Mannose to Small Amphiphilic Polyol: Perfect Linearity Leads To Spontaneous Aggregation

2016

Terminally unsaturated and diastereochemically pure polyol derived from d-mannose shows spontaneous aggregation behavior in water solution. In order to study and clarify this unforeseen phenomenon, a conformational study based on NMR spectroscopy combined with ab initio structure analysis using the COSMO-solvation model was pursued. The results, together with X-ray diffraction studies, suggest a low energy linear conformation for this particular substrate both in solid states and in solution. For such small-sized acyclic carbohydrate derivatives, the linear conformation appears to be a key prerequisite for the unusual molecular self-assembly reported herein. peerReviewed

X ray diffractionAb initioMannosed-mannose010402 general chemistry01 natural sciencesspontaneous aggregationchemistry.chemical_compoundPolyolAmphiphileGeneral Materials Scienceta116Nuclear magnetic resonance spectroscopychemistry.chemical_classificationpolyolsta114010405 organic chemistryChemistrySubstrate (chemistry)General ChemistryNuclear magnetic resonance spectroscopySelf assemblyCondensed Matter Physics0104 chemical sciencesCrystallographyX-ray crystallographySelf-assemblyCrystal Growth & Design
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Bioinspired Mo, W and V complexes bearing a highly hydroxyl-functionalized Schiff base ligand

2020

Abstract A series of bioinspired dioxidomolybdenum( vi), dioxidotungsten (vi) and oxidovanadium (v) complexes [MoO2(H2LSaltris)], [WO2(H2LSaltris)] and [VO(HLSaltris)]2 were prepared by the reaction of a hydroxyl-rich Schiff base proligand N-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-3,5-di-tert-butylsalicylaldimine (H4LSaltris) with metal precursors in methanol solutions. Molybdenum and tungsten complexes crystallize as mononuclear molecules, whereas the vanadium complex forms dinuclear units. From the complexes, [VO(HLSaltris)]2 shows activity in the oxidation of 4-tert-butylcatechol and 3,5-di-tert-butylcatechol, mimicking the action of the dicopper enzyme catechol oxidase.

Schiff basebiology010405 organic chemistryLigandchemistry.chemical_elementVanadium010402 general chemistry01 natural sciences0104 chemical sciencesInorganic ChemistryMetalchemistry.chemical_compoundchemistryMolybdenumvisual_artPolymer chemistryMaterials Chemistryvisual_art.visual_art_mediumbiology.proteinMoleculeHydroxymethylPhysical and Theoretical ChemistryCatechol oxidaseInorganica Chimica Acta
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NI halogen bonding supported stabilization of a discrete pseudo-linear [I12]2− polyiodide

2015

Two different dicationic N-donors, based on the DABCO diamine, have been studied as templates for polyiodides. The results present a new strategy for polyiodide stabilization, which involves both N⋯I halogen bonding and cation–anion interactions. This is highlighted by the self-assembly of an unprecedented discrete pseudo-linear dodecaiodide species.

Halogen bondInorganic chemistryGeneral ChemistryDABCOCondensed Matter Physicschemistry.chemical_compoundPolyiodideTemplatechemistryhalogen bondingDiaminePolymer chemistryGeneral Materials Scienceta116CrystEngComm
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Switchable Access to Different Spirocyclopentane Oxindoles by N-Heterocyclic Carbene Catalyzed Reactions of Isatin-Derived Enals and N-Sulfonyl Ketim…

2017

A novel NHC-catalyzed annulation protocol for the asymmetric synthesis of biologically important β-lactam fused spirocyclopentane oxindoles with four contiguous stereocenters, including two quaternary carbon centers, was developed. Alternatively, spirocyclopentane oxindoles containing an enaminone moiety can be achieved using the same starting materials, isatin-derived enals, and N-sulfonyl ketimines, in the presence of a slightly different NHC catalytic system. This switchable annulation strategy enables the selective assembly of both heterocyclic scaffolds with good yields and excellent enantioselectivities for a broad range of substrates.

Annulationasymmetric synthesis010402 general chemistry01 natural sciencesCatalysisStereocenterchemistry.chemical_compoundkatalyytitMoietyOrganic chemistryorganocatalysisN-heterocyclic carbenesheterosykliset yhdisteetspiro-compoundsta116Sulfonylchemistry.chemical_classificationkemiallinen synteesiheterocycles010405 organic chemistryIsatinEnantioselective synthesisGeneral ChemistryGeneral Medicine0104 chemical scienceschemistryOrganocatalysisCarbeneAngewandte Chemie
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N‐Heterocyclic Carbene Catalyzed [4+2] Annulation of Enals via a Double Vinylogous Michael Addition: Asymmetric Synthesis of 3,5‐Diaryl Cyclohexenones

2017

A strategy for the N-heterocyclic carbene (NHC) catalyzed asymmetric synthesis of 3,5-diaryl substituted cyclohexenones has been developed via oxidative [4+2] annulation of enals and alkenylisoxazoles. It is the first example of using NHC organocatalysis in a double vinylogous Michael type reaction, a challenging but highly desirable topic. This unprecedented protocol affords good yields as well as high to excellent diastereo- and enantioselectivities.

Annulation010405 organic chemistryChemistryStereochemistryEnantioselective synthesisGeneral MedicineGeneral Chemistry010402 general chemistry01 natural sciencesCatalysis0104 chemical sciencesCatalysischemistry.chemical_compoundOrganocatalysisMichael type reactionMichael reactionta116N-heterocyclic carbeneCarbeneAngewandte Chemie International Edition
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1‑Phenyl-3-(pyrid-2-yl)benzo[e][1,2,4]triazinyl: The First "Blatter Radical" for Coordination Chemistry

2014

A neutral air- and moisture-stable N,N′-chelating radical ligand, 1-phenyl-3-(pyrid-2-yl)benzo[e][1,2,4]triazinyl (1) was synthesized and characterized by electron paramagnetic resonance spectroscopy, X-ray crystallography, and magnetic measurements. Subsequent reaction of 1 with Cu(hfac)2·2H2O (hfac = hexafluoroacetylacetonate) under ambient conditions afforded the coordination complex Cu(1)(hfac)2 in which the radical binds to the metal in a bidentate fashion. Magnetic susceptibility data collected from 1.8 to 300 K indicate a strong ferromagnetic metal-radical interaction in the complex and weak antiferromagnetic radical···radical interactions between the Cu(1)(hfac)2 units. Detailed com…

chemistry.chemical_classificationDenticityStereochemistryLigandpysyvät radikaalitRadicalmetal complexes[CHIM.INOR]Chemical Sciences/Inorganic chemistryMedicinal chemistryMagnetic susceptibilityCoordination complexInorganic ChemistryMetalParamagnetismCoordination Chemistrystable radicalschemistryBlatter radikaalivisual_artvisual_art.visual_art_mediumAntiferromagnetismBlatter radicalPhysical and Theoretical Chemistryta116metallikompleksit
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Asymmetric Synthesis of Amino-Bis-Pyrazolone Derivatives via an Organocatalytic Mannich Reaction.

2017

A new series of N-Boc ketimines derived from pyrazolin-5-ones have been used as electrophiles in asymmetric Mannich reactions with pyrazolones. The amino-bis-pyrazolone products are obtained in excellent yields and stereoselectivities by employing a very low loading of 1 mol % of a bifunctional squaramide organocatalyst. Depending on the substitution at position 4 of the pyrazolones, the new protocol allows for the generation of one or two tetrasubstituted stereocenters, including a one-pot version combing the Mannich reaction with a base-mediated halogenation. peerReviewed

Mannich reactions010405 organic chemistryChemistryOrganic Chemistryasymmetric synthesisSquaramideEnantioselective synthesisHalogenation010402 general chemistry01 natural sciencespyrazolones0104 chemical sciencesStereocenteramino-bis-pyrazolone productschemistry.chemical_compoundElectrophilePyrazolonesOrganic chemistryBifunctionalMannich reactionta116The Journal of organic chemistry
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Synthesis and structural studies on Ni(II) dithiocarbamates : Exploring intramolecular Ni···H-C interactions

2017

Abstract Five new Ni(II) dithiocarbamates with NiS4, NiS2PN and NiS2PCl coordination spheres, viz. [Ni(bupmbzdtc)2] (1), [Ni(bupmbzdtc)(PPh3)(NCS)] (2), [Ni(bupmbzdtc)(PPh3)Cl] (3), [Ni(4-dpmpzdtc)(PPh3)Cl] (4) and [Ni(pbbzbudtc)(PPh3)(NCS)] (5), where bupmbzdtc = N-butyl(p-methylbenzyl)dithiocarbamato anion, 4-dpmpzdtc = 4-(diphenylmethyl)piperazinecarbodithioato anion, pbbzbudtc = N-(p-bromobenzyl)butyl-dithiocarbamato anion and PPh3 = triphenylphosphine, were synthesized and characterized by UV, IR, NMR and single crystal X-ray diffraction methods. Spectral results suggest a square planar geometry around the Ni(II) metal center for all the synthesized complexes. Single crystal X-ray stru…

chemistry.chemical_classificationC-H···Ni interaction010405 organic chemistryChemistryInorganic chemistrySolid-state010402 general chemistry01 natural sciencesNMR0104 chemical sciencesIonInorganic ChemistryMetalCrystallographydithiocarbamateIntramolecular forcevisual_artMaterials Chemistryvisual_art.visual_art_mediumPhysical and Theoretical ChemistryDithiocarbamateX-ray structural analysisSingle crystalta116Polyhedron
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Poly[[μ-N,N′-bis(2-hydroxyethyl)-N,N,N′,N′-tetramethylpropane-1,3-diaminium-κ2O:O′]tetra-μ-bromido-dibromidodimanganese(II)]

2012

The asymmetric unit of the title three-dimensional coordination polymer, [Mn2Br6(C11H28N2O2)] n , consists of one Mn(II) cation, half of a dicationic N,N'-bis-(2-hy-droxy-eth-yl)-N,N,N',N'-tetra-methyl-propane-1,3-diaminium ligand (L) (the other half being generated by a twofold rotation axis), and three bromide ions. The Mn(II) cation is coordinated by a single L ligand via the hy-droxy O atom and by five bromide ions, resulting in a distorted octa-hedral MnBr5O coordination geometry. Four of the bromide ions are bridging to two adjacent Mn(II) atoms, thereby forming polymeric chains along the a and b axes. The L units act as links between neighbouring Mn-(μ-Br)2-Mn chains, also forming a …

Metal-Organic PapersbiologyCoordination polymerHydrogen bondGeneral ChemistryCondensed Matter Physicsbiology.organism_classificationBioinformaticschemistry.chemical_compoundCrystallographychemistryPropaneAtomTetraGeneral Materials Scienceta116Coordination geometryBromide ionsActa Crystallographica Section E Structure Reports Online
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Synthesis of self-assembled mesoporous 3D In2O3 hierarchical micro flowers composed of nanosheets and their electrochemical properties

2018

This report describes the methodology for the fabrication of mesoporous In2O3 microflowers by hydrothermal and calcination procedures in which In(OH)3/In2S3 acts as an intermediate. Both In2O3 and its precursor were analyzed with scanning electron microscopy, energy dispersive X-ray spectrophotometry, transmission electron microscopy and powder X-ray diffraction. BET surface area, pore size and pore volume analyses were also carried out. Electron microscopy images clearly evidence the self-assembly of 2D nanosheets into the micro flower structure. The mechanism of self-assembly and calcination is reported. Electrochemical properties of the synthesized In2O3 micro flowers were studied.

FabricationMaterials scienceScanning electron microscopeGeneral Chemical Engineering02 engineering and technologymethodology for the fabrication010402 general chemistry01 natural sciencesHydrothermal circulationlaw.inventionnanorakenteetlawCalcinationmesoporous In2O3 micro flowersta116kemiallinen synteesiGeneral Chemistry021001 nanoscience & nanotechnology0104 chemical sciencesmikrorakenteetChemical engineeringTransmission electron microscopyElectron microscope0210 nano-technologyMesoporous materialBET theoryRSC Advances
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Halogen bonds in 2,5-dihalopyridine-copper(II) chloride complexes

2018

Ten coordination complexes obtained through a facile reaction between 2,5-dihalopyridines and copperIJII) chloride (CuCl2) are characterized using single crystal X-ray diffraction. Two series of dihalopyridine complexes based on 2-chloro-5-X-pyridine and 2-bromo-5-X-pyridine (X = F, Cl, Br and I) were prepared to analyze the C–X2/X5⋯Cl–Cu halogen bonds (XB). The influence of X2- and X5-substituents on the respective interactions was examined by comparing them to the X2/X3⋯Cl–Cu XBs found in mono-substituted halopyridine complexes, (n-X-pyridine)2·CuCl2 (n = 2, 3 and X = Cl, Br and I). Varying the X5-halogens in (2,5-dihalopyridine)2·CuCl2, the C5–X5⋯Cl–Cu XBs follow the order F5 1 and they c…

kemialliset sidoksetcoordination complexeskompleksiyhdisteetchemical bonds
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Series of Near-IR-Absorbing Transition Metal Complexes with Redox Active Ligands

2020

New soluble and intensely near-IR-absorbing transition metal (Ti, Zr, V, Ni) complexes were synthesized using a redox non-innocent N,N&rsquo

Spectrometry Mass Electrospray IonizationMagnetic Resonance SpectroscopyElectronsChemistry Techniques SyntheticCrystallography X-RayLigandsArticlelcsh:QD241-441Magneticslcsh:Organic chemistryX-Ray DiffractionCoordination ComplexesNickelTransition Elementsorgaaniset yhdisteetSpectroscopy Near-InfraredMolecular Structureredox-active ligandnon-innocent ligandsElectrochemical Techniquesliganditkompleksiyhdisteetmetal organic complexMetalsElectronicsOxidation-Reduction
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Oxidovanadium(v) complexes with l-proline-based amino acid phenolates

2019

L-proline was used to prepare chiral, tridentate amino acid phenol proligands H2L1—4. These proligands react with vanadium precursors VO(acac)2, VOSO4 ∙ 5 H2O and VO(OPr)3 in methanol to form the corresponding oxidoalkoxidovanadium(V) complexes 1—4. The complexes crystallize from methanol, and are octahedrally coordinated with a general formula [VO(L1—4)(OMe)(MeOH)]. In solution, however, they adopt several different conformations or isomeric structures depending on the solvent. peerReviewed

amino acidsfenolitvanadiumcoordination complexeskompleksiyhdisteetphenolsaminohapotvanadiini
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Synthesis and structural studies on Ni(II) dithiocarbamates : Exploring intramolecular Ni···H-C interactions

2017

Five new Ni(II) dithiocarbamates with NiS4, NiS2PN and NiS2PCl coordination spheres, viz. [Ni(bupmbzdtc)2] (1), [Ni(bupmbzdtc)(PPh3)(NCS)] (2), [Ni(bupmbzdtc)(PPh3)Cl] (3), [Ni(4-dpmpzdtc)(PPh3)Cl] (4) and [Ni(pbbzbudtc)(PPh3)(NCS)] (5), where bupmbzdtc = N-butyl(p-methylbenzyl)dithiocarbamato anion, 4-dpmpzdtc = 4-(diphenylmethyl)piperazinecarbodithioato anion, pbbzbudtc = N-(p-bromobenzyl)butyl-dithiocarbamato anion and PPh3 = triphenylphosphine, were synthesized and characterized by UV, IR, NMR and single crystal X-ray diffraction methods. Spectral results suggest a square planar geometry around the Ni(II) metal center for all the synthesized complexes. Single crystal X-ray structural an…

dithiocarbamateC-H···Ni interactionX-ray structural analysisNMR
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Synthesis of self-assembled mesoporous 3D In2O3 hierarchical micro flowers composed of nanosheets and their electrochemical properties

2018

This report describes the methodology for the fabrication of mesoporous In2O3 microflowers by hydrothermal and calcination procedures in which In(OH)3/In2S3 acts as an intermediate. Both In2O3 and its precursor were analyzed with scanning electron microscopy, energy dispersive X-ray spectrophotometry, transmission electron microscopy and powder X-ray diffraction. BET surface area, pore size and pore volume analyses were also carried out. Electron microscopy images clearly evidence the self-assembly of 2D nanosheets into the micro flower structure. The mechanism of self-assembly and calcination is reported. Electrochemical properties of the synthesized In2O3 micro flowers were studied. peerR…

mikrorakenteetkemiallinen synteesinanorakenteetmethodology for the fabricationmesoporous In2O3 micro flowers
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The Syntheses and Vibrational Spectra of 16O- and 18O-Enriched cis-MO2 (M=Mo, W) Complexes

2018

In this contribution, we report convenient synthetic approaches for obtaining 16O/18O‐enriched dioxidometalVI complexes, MO2(L) (W, Mo), with a linear, tetradentate amine phenolate ligand N,N′‐dimethyl‐N,N′‐bis(2‐hydroxy‐3,5‐dimethylbenzyl)ethylenediamine (H2L) and describe their characterization by IR and Raman spectroscopy complemented by DFT computational analysis. The isotopologues of WO2(L) were made of tungstenVI trisglycolate W(eg)3 (eg=1,2‐ethanediolate dianion) and ligand H2L in the presence of either H2[16O] or H2[18O], whereas Mo16O2(L) was made using Na2MoO4⋅2H2O which was converted to Mo18O2(L) by oxido substitution using H2[18O]. The complementary IR and Raman analyses show th…

isotopologuestiheysfunktionaaliteoriavolframikompleksiyhdisteetvibrational spectramolybdeeniDFT
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Poly[[myy-N,N'-bis(2-hydroxyethyl)-N,N,N',N'-tetramethylpropane-1,3-diaminium-kappa2O:O']tetra-myy-bromido-dibromidodimanganese(II)]

2012

The asymmetric unit of the title three-dimensional coordination polymer, [Mn2Br6(C11H28N2O2)]n, consists of one MnII cation, half of a dicationic N,N0 -bis(2-hydroxyethyl)- N,N,N0 ,N0 -tetramethylpropane-1,3-diaminium ligand (L) (the other half being generated by a twofold rotation axis), and three bromide ions. The MnII cation is coordinated by a single L ligand via the hydroxy O atom and by five bromide ions, resulting in a distorted octahedral MnBr5O coordination geometry. Four of the bromide ions are bridging to two adjacent MnII atoms, thereby forming polymeric chains along the a and b axes. The L units act as links between neighbouring Mn—(-Br)2—Mn chains, also forming a polymeric con…

röntgendiffraktiocrystal structurex-ray diffractionmetallo-orgaaninen verkkorakennekiderakennemetal-organic framework
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Enantioselective Total Syntheses of (+)-Hippolachnin A, (+)-Gracilioether A, (-)-Gracilioether E and (-)-Gracilioether F

2018

The Plakortin polyketides represent a structurally and biologically fascinating class of marine natural products. Herein, we report a unified strategy that enables the divergent syntheses of various Plakortin polyketides with high step-economy and overall efficiency. As proof-of-concept cases, the enantioselective total syntheses of (+)-hippolachnin A, (+)-gracilioether A, (−)-gracilioether E, and (−)-gracilioether F have been accomplished based on a series of bio-inspired, rationally designed, or serendipitously discovered transformations, which include (1) an organocatalytic asymmetric 1,4-conjugate addition to assemble the common chiral γ-butenolide intermediate enroute to all of the afo…

Plakortin polyketidesdivergent syntheses
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Molybdenum(VI) complexes with a chiral L-alanine bisphenol [O,N,O,O’] ligand : Synthesis, structure, spectroscopic properties and catalytic activity

2023

Dioxidomolybdenum(VI) compound [MoO2Cl2(dmso)2] reacts with a chiral tetradentate O3N-type L-alanine bisphenol ligand precursor (Et3NH)H2Lala to form an oxidochloridomolybdenum(VI) complex [MoOCl(Lala)] (1) as two separable geometric isomers with phenolate groups in cis or trans positions. The single crystal X-ray and NMR analyses of cis- and trans-1 reveal that the complexes are formed of monomeric molecules, in which the ligand has a tetradentate coordination through three oxygen donors and one nitrogen donor. The reaction of Na2MoO4·2H2O with the same ligand precursor in an acidic methanol solution leads to the formation of an anionic dioxido complex (Et3NH)[MoO2(Lala)] (2) with a trans …

epoxidationsmolybdenumkatalyytitcatalysisL-alaninekompleksiyhdisteetmolybdeeni
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Tetrameric and Dimeric [N∙∙∙I+∙∙∙N] Halogen-Bonded Supramolecular Cages

2017

Tripodal N‐donor ligands are used to form halogen‐bonded assemblies via structurally analogous Ag+‐complexes. Selective formation of discrete tetrameric I6L4 and dimeric I3L2 halonium cages, wherein multiple [N⋅⋅⋅I+⋅⋅⋅N] halogen bonds are used in concert, can be achieved by using sterically rigidified cationic tris(1‐methyl‐1‐azonia‐4‐azabicyclo[2.2.2]octane)‐mesitylene ligand, L1(PF6)3, and flexible ligand 1,3,5‐tris(imidazole‐1‐ylmethyl)‐2,4,6‐trimethylbenzene, L2, respectively. The iodonium cages, I6L14(PF6)18 and I3L22(PF6)3, were obtained through the [N⋅⋅⋅Ag+⋅⋅⋅N]→ [N⋅⋅⋅I+⋅⋅⋅N] cation exchange reaction between the corresponding Ag6L14(PF6)18 and Ag3L22(PF6)3 coordination cages, prepare…

supramolecular cageshalogen bonds
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CCDC 1429013: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(butyl(4-methylbenzyl)carbamodithioato)-isothiocyanato-triphenylphosphine-nickel(ii)Experimental 3D Coordinates
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2018

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2013

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2021

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Space GroupCrystallographyCrystal SystemCrystal Structurebis{22'-[cyclohexa-35-diene-12-diylidenebis(azanylylidene)]bis(46-di-t-butylphenolato)}-titanium(iv) acetonitrile solvateCell ParametersExperimental 3D Coordinates
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CCDC 1857204: Experimental Crystal Structure Determination

2019

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N-(4-methylphenyl)-4-[(quinazolin-4-yl)amino]benzene-1-sulfonamideSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1855151: Experimental Crystal Structure Determination

2019

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Space GroupCrystallography(1-{[2-oxido-35-dimethylphenyl]methyl}prolinato)-(methanol)-(methanolato)-oxo-vanadium methanol solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1986216: Experimental Crystal Structure Determination

2021

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(24-di-t-butyl-6-[{6-[(35-di-t-butyl-2-hydroxyphenyl)imino]cyclohexa-24-dien-1-ylidene}amino]phenolato)-{1-[(35-di-t-butyl-2-oxidophenyl)azanidyl]-6-[(35-di-t-butyl-2-oxidophenyl)imino]cyclohexa-24-dien-1-yl radical}-vanadiumExperimental 3D Coordinates
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CCDC 1822427: Experimental Crystal Structure Determination

2018

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Space GroupCrystallographyCrystal SystemCrystal Structurenon-8-yne-123456-hexolCell ParametersExperimental 3D Coordinates
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CCDC 1822426: Experimental Crystal Structure Determination

2018

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersnon-8-ene-123456-hexolExperimental 3D Coordinates
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CCDC 947463: Experimental Crystal Structure Determination

2013

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tetrakis(11'1''-(Benzene-135-triyltris(methylene))tris(4-aza-1-azoniabicyclo[2.2.2]octane)) tris(oxonium) pentadecakis(hexafluorophosphate) nonahydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1850752: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatestetrakis(mu-acetato)-bis(mu-26-bis{[(2'-amino[11'-binaphthalen]-2-yl)imino]methyl}-4-methylphenolato)-(mu-oxo)-tetra-copper acetonitrile solvate
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CCDC 1554864: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-11'1''-[(246-trimethylbenzene-135-triyl)tris(methylene)]tris(1H-imidazole))-tri-iodonium tris(hexafluorophosphate) acetonitrile solvateExperimental 3D Coordinates
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CCDC 1543566: Experimental Crystal Structure Determination

2018

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterst-butyl (1-acetyl-1'-methyl-2'3-dioxo[1'22'3-tetrahydro-1H3'H-[23'-biindole]]-3'-yl)carbamateExperimental 3D Coordinates
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CCDC 2157988: Experimental Crystal Structure Determination

2023

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters[N2N2-bis{[35-di-t-butyl-2-oxyphenyl]methyl}-N-methyl-N-phenylglycinamidato]-dioxo-tungsten(vi) methanol solvateExperimental 3D Coordinates
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CCDC 1821328: Experimental Crystal Structure Determination

2018

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-chloro)-dichloro-tetrakis(25-dichloropyridine)-di-copper(ii)Experimental 3D Coordinates
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CCDC 2211276: Experimental Crystal Structure Determination

2023

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterstetrakis(mu-11'1''-[(246-trimethylbenzene-135-triyl)tris(methylene)]tris(14-diazabicyclo[2.2.2]octan-1-ium))-hexadecakis(mu-iodo)-dodeca-copper(i) hemikis(triiodo-copper(i)) diiodo-copper hexakis(iodide) unknown solvateExperimental 3D Coordinates
researchProduct

CCDC 1986214: Experimental Crystal Structure Determination

2021

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(24-di-t-butyl-6-[{6-[(35-di-t-butyl-2-hydroxyphenyl)imino]cyclohexa-24-dien-1-ylidene}amino]phenolato)-{1-[(35-di-t-butyl-2-oxidophenyl)azanidyl]-6-[(35-di-t-butyl-2-oxidophenyl)imino]cyclohexa-24-dien-1-yl radical}-vanadiumExperimental 3D Coordinates
researchProduct

CCDC 1555938: Experimental Crystal Structure Determination

2018

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3-benzyl-4-(4-methoxyphenyl)-2-oxo-6-phenyl-34-dihydro-2H-pyran-5-carbonitrileSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1023706: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal SystemCrystal Structure11'-hexane-16-diylbis(4-aza-1-azoniabicyclo[2.2.2]octane) bis(triiodide)Cell ParametersExperimental 3D Coordinates
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CCDC 1821327: Experimental Crystal Structure Determination

2018

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Space GroupCrystallographybis(mu-chloro)-dichloro-tetrakis(2-chloro-5-fluoropyridine)-di-copper(ii)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1519808: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters78-dichloro-4-methyl-4H-[123]dithiazolo[5'4':56]pyrido[32-b]pyrazino[23-e][14]thiazin-2-ium trifluoromethanesulfonateExperimental 3D Coordinates
researchProduct

CCDC 996588: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal System(benzyl(butyl)carbamodithioato)-(cyano)-(triphenylphosphine)-nickel(ii)Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1821330: Experimental Crystal Structure Determination

2018

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Space GroupCrystallographybis(mu-chloro)-dichloro-tetrakis(2-chloro-5-iodopyridine)-di-copper(ii)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1901271: Experimental Crystal Structure Determination

2019

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researchProduct

CCDC 1519806: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters8-chloro-4-methyl-4H-[123]dithiazolo[5'4':56]pyrido[32-b][14]benzothiazin-2-ium trifluoromethanesulfonateExperimental 3D Coordinates
researchProduct

CCDC 2129454: Experimental Crystal Structure Determination

2023

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters[N-t-butyl-N2N2-bis{[35-di-t-butyl-2-oxyphenyl]methyl}glycinamidato]-dioxo-tungsten(vi) methanol solvateExperimental 3D Coordinates
researchProduct

CCDC 1537523: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal Structuret-butyl [3'4-dimethyl-55'-dioxo-11'-diphenyl-3-(phenylethynyl)[1'455'-tetrahydro-1H4'H-[44'-bipyrazole]]-4'-yl]carbamateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2062703: Experimental Crystal Structure Determination

2021

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Space GroupCrystallographybis{24-di-t-butyl-6-[(68-di-t-butyl-1H-phenoxazin-1-ylidene)amino]phenolato}-ironCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1429012: Experimental Crystal Structure Determination

2016

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researchProduct

CCDC 1537522: Experimental Crystal Structure Determination

2017

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4'-[(t-butoxycarbonyl)amino]-33'-dimethyl-5'-oxo-11'-diphenyl[4'5'-dihydro-1H1'H-[44'-bipyrazole]]-5-yl acetateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1901275: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal Systemcatena-[tetrakis(mu-nitrato)-hexakis(3-iodopyridine)-bis(nitrato)-tri-copper(ii)]Crystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1821335: Experimental Crystal Structure Determination

2018

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researchProduct

CCDC 2109451: Experimental Crystal Structure Determination

2022

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researchProduct

CCDC 978172: Experimental Crystal Structure Determination

2014

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researchProduct

CCDC 2157986: Experimental Crystal Structure Determination

2023

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researchProduct

CCDC 2157987: Experimental Crystal Structure Determination

2023

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters[N2N2-bis{[35-di-t-butyl-2-oxyphenyl]methyl}-N-phenylglycinamidato]-dioxo-tungsten(vi) methanol solvateExperimental 3D Coordinates
researchProduct

CCDC 1429016: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal Structure((4-bromobenzyl)butylcarbamodithioato)-isothiocyanato-triphenylphosphine-nickel(ii)Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2157984: Experimental Crystal Structure Determination

2023

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researchProduct

CCDC 1536801: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates2-amino-1-methyl-6-[(3-sulfanylidene-34-dihydroquinoxalin-2-yl)amino]pyridin-1-ium trifluoromethanesulfonate
researchProduct

CCDC 1027705: Experimental Crystal Structure Determination

2016

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researchProduct

CCDC 1821331: Experimental Crystal Structure Determination

2018

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researchProduct

CCDC 947465: Experimental Crystal Structure Determination

2013

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Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates11'1''-((246-Trimethylbenzene-135-triyl)tris(methylene))tris-4-aza-1-azoniabicyclo[2.2.2]octane tris(hexafluorophosphate) heptahydrate
researchProduct

CCDC 1901281: Experimental Crystal Structure Determination

2019

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researchProduct

CCDC 1023708: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates11'-octane-18-diylbis(4-diiodaniumyl-14-diazoniabicyclo[2.2.2]octane) bis(hexafluorophosphate)
researchProduct

CCDC 1986215: Experimental Crystal Structure Determination

2021

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Space GroupCrystallographyCrystal SystemCrystal Structurebis{22'-[cyclohexa-35-diene-12-diylidenebis(azanylylidene)]bis(46-di-t-butylphenolato)}-nickelCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1527542: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureN-{[1'-benzyl-2-(4-chlorophenyl)-2'4-dioxo-1'2'-dihydro-3H-spiro[cyclopentane-13'-indol]-3-ylidene](phenyl)methyl}-4-methylbenzene-1-sulfonamide ethyl acetate solvateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1821332: Experimental Crystal Structure Determination

2018

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-chloro)-dichloro-tetrakis(2-bromo-5-fluoropyridine)-di-copper(ii)Experimental 3D Coordinates
researchProduct

CCDC 1023704: Experimental Crystal Structure Determination

2014

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11'-hexane-16-diylbis(4-diiodaniumyl-14-diazoniabicyclo[2.2.2]octane) bis(hexafluorophosphate)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1901273: Experimental Crystal Structure Determination

2019

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researchProduct

CCDC 1519807: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal System8-chloro-4-methyl-3H4H-[123]dithiazolo[5'4':56]pyrido[32-b][14]benzothiazine radicalCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1901274: Experimental Crystal Structure Determination

2019

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researchProduct

CCDC 1431928: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(methanol)-(22'-((methylimino)bis(methylene))bis(6-t-butyl-4-methylphenolato))-dioxo-tungsten(vi) methanol solvateExperimental 3D Coordinates
researchProduct

CCDC 1901280: Experimental Crystal Structure Determination

2019

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researchProduct

CCDC 1429014: Experimental Crystal Structure Determination

2016

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(butyl(4-methylbenzyl)carbamodithioato)-chloro-triphenylphosphine-nickelSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1901277: Experimental Crystal Structure Determination

2019

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researchProduct

CCDC 1901270: Experimental Crystal Structure Determination

2019

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researchProduct

CCDC 1821337: Experimental Crystal Structure Determination

2018

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[bis(mu-chloro)-bis(3-fluoropyridine)-copper(ii)]Experimental 3D Coordinates
researchProduct

CCDC 1913766: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal SystemCrystal Structurebis{24-di-t-butyl-6-[(4-nitrophenyl)imino]cyclohexa-24-dien-1-olato radical}-cobalt(ii)Cell ParametersExperimental 3D Coordinates
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CCDC 1027703: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(4-(diphenylmethyl)piperazine-1-carbodithioato)-thiocyanato-triphenylphosphine-palladium dichloromethane solvateExperimental 3D Coordinates
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CCDC 1429015: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographychloro-(4-(diphenylmethyl)piperazine-1-carbodithioato)-triphenylphosphine-nickel acetone solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1574958: Experimental Crystal Structure Determination

2018

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Space GroupCrystallography2-[(24-diethyl-5-oxo-25-dihydrofuran-2-yl)methyl]-N-(1-phenylethyl)butylammonium chlorideCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1534754: Experimental Crystal Structure Determination

2017

Related Article: Xiang-Yu Chen, Qiang Liu, Pankaj Chauhan, Sun Li, Anssi Peuronen, Kari Rissanen, Ehsan Jafari, Dieter Enders|2017|Angew.Chem.,Int.Ed.|56|6241|doi:10.1002/anie.201702881

4-(3-methyl-4-nitro-12-oxazol-5-yl)-5-(thiophen-2-yl)-56-dihydro[11'-biphenyl]-3(4H)-oneSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1857205: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersN-(4-chlorophenyl)-4-[(quinazolin-4-yl)amino]benzene-1-sulfonamideExperimental 3D Coordinates
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CCDC 2211277: Experimental Crystal Structure Determination

2023

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Space GroupCrystallographyCrystal Systemtetrakis(mu-11'1''-[(246-trimethylbenzene-135-triyl)tris(methylene)]tris(14-diazabicyclo[2.2.2]octan-1-ium))-hexadecakis(mu-iodo)-dodeca-copper(i) octaiodide bis(acetonitrile-iodo-copper) iodine acetonitrile tetrabromomethane unknown solvateCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1825936: Experimental Crystal Structure Determination

2018

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersnon-8-ene-123456-hexolExperimental 3D Coordinates
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CCDC 1844317: Experimental Crystal Structure Determination

2018

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Space GroupCrystallographyCrystal SystemCrystal Structure(mu-55':1010'1515':2020'-tetrakis(44'-(44'-(25-dioxahexan-16-diyl)bis((1H-123-triazol-1-yl)methyl))bis(phenyl))bis(porphyrinato))-tetra-silver(i)-di-zinc(ii) tetrakis(tetrakis(35-bis(trifluoromethyl)phenyl)borate) cyclohexane solvateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1913765: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal SystemCrystal Structurebis{24-di-t-butyl-6-[(4-nitrophenyl)amino]phenolato}-copper(ii)Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 992712: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographytetrakis(mu~3~-11'1''-((246-trimethylbenzene-135-triyl)tris(methylene))tris(4-aza-1-azoniabicyclo[2.2.2]octane))-dodecakis(acetonitrile)-hexaaqua-hexa-copper dodecakis(trifluoromethanesulfonate) dodecakis(bis(trifluoromethanesulfonyl)imide) acetonitrile solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1987795: Experimental Crystal Structure Determination

2021

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Space GroupCrystallographybis{22'-[cyclohexa-35-diene-12-diylidenebis(azanylylidene)]bis(46-di-t-butylphenolato)}-zirconium(iv) unknown solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2129453: Experimental Crystal Structure Determination

2023

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters[N-t-butyl-N2N2-bis{[35-di-t-butyl-2-oxyphenyl]methyl}glycinamidato]-dioxo-molybdenum(vi) methanol solvateExperimental 3D Coordinates
researchProduct

CCDC 1023707: Experimental Crystal Structure Determination

2014

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Space GroupCrystallography11'-hexane-16-diylbis(4-aza-1-azoniabicyclo[2.2.2]octane) tetraiodideCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1518783: Experimental Crystal Structure Determination

2017

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Space GroupCrystallography1414-dichloroquinolino[1'2':34][132]diazaborolo[15-a]quinolinium chlorideCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1554862: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal Systemtetrakis(mu-11'1''-[(246-trimethylbenzene-135-triyl)tris(methylene)]tris(14-diazabicyclo[2.2.2]octan-1-ium))-hexa-iodonium octadecakis(hexafluorophosphate) acetonitrile solvateCrystal StructureCell ParametersExperimental 3D Coordinates
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