Search results for "force"

showing 10 items of 3423 documents

Über antimon-haltige heterocyclen

1980

Abstract p -Nitrophenyl- and p -tolyl-oxadithia- and trithiastibocanes have been synthesized from the respective aryldichlorostibane and dithiole. The compounds have been characterised by means of 13 C NMR and vibrational spectra (ν(SBS 2 ) 350–320 cm −1 ). The crystal structure of p -nitrophenyltrithiastibocane has been determined ( R = 0.042). The eight-membered ring exhibits a boat-chair conformation. Single-bond distances of SbC and SbS (219, 244 and 245 pm), a 1,5-transannular Sb⋯S interaction (319 pm), and Sb⋯S and Sb⋯O (339 and 353 pm) intermolecular contacts, result in a six-coordinated Sb III (ψ-monocapped octahedral) species. The two additional Sb⋯S distances are in accordance w…

StereochemistryChemistryOrganic ChemistryIntermolecular forceDithiolEthanedithiolCrystal structureNuclear magnetic resonance spectroscopyCarbon-13 NMRDihedral angleRing (chemistry)BiochemistryInorganic Chemistrychemistry.chemical_compoundCrystallographyOctahedronX-ray crystallographyMass spectrumMaterials ChemistryProton NMRSingle bondMoleculePhysical and Theoretical ChemistryJournal of Organometallic Chemistry
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Iron(III), chromium(III) and cobalt(II) complexes with squarate: Synthesis, crystal structure and magnetic properties

2011

The preparation and variable temperature-magnetic investigation of three squarate-containing complexes of formula [Fe 2 (OH) 2 (C 4 O 4 ) 2 (H 2 O) 4 ]·2H 2 O ( 1 ) [Cr 2 (OH) 2 (C 4 O 4 ) 2 (H 2 O) 4 ]·2H 2 O ( 2 ) and [Co(C 4 O 4 )(H 2 O) 4 ] n ( 3 ) [H 2 C 4 O 4  = 3.4-dihydroxycyclobutene-1,2-dione (squaric acid)] together with the crystal structures of 1 and 3 are reported. Complex 1 contains discrete centrosymmetric [Fe 2 (OH) 2 (C 4 O 4 ) 2 (H 2 O) 4 ] diiron(II) units where the iron pairs are joined by a di-μ-hydroxo bridge and two squarate ligands acting as bridging groups through adjacent oxygen atoms. Two coordinated water molecules in cis position complete the octahedral environ…

StereochemistryChemistrychemistry.chemical_elementCrystal structureSquaric acidInorganic ChemistryCrystallographychemistry.chemical_compoundOctahedronIntramolecular forceMaterials ChemistryAntiferromagnetismMoleculePhysical and Theoretical ChemistryIsostructuralCobaltInorganica Chimica Acta
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Synthesis, structural and magnetic characterizations of new complexes of di-2,6-(2-pyridylcarbonyl)pyridine (pyCOpyCOpy) ligand

2013

International audience; Using the di-2,6-(2-pyridylcarbonyl)pyridine ligand (L1) as starting framework, five new mononuclear complexes were obtained: [Cu(L1)(MeCN)(ClO4)2] (1) [Co(L1)(MeCN)(Br)2]*MeCN (2), [Fe(L1)2](BF4)2*MeOH*H2O (3), [Cr(L2a)Cl2]*2MeOH (where HL2a is (6-(hydroxyl(methoxy)(pyridin-2-yl)methyl)pyridin-2-yl)(pyridin-2-yl)methanone) (4) and one trinuclear [NiII3] complex, [Ni3(L2b)2(Bz)2(EtOH)2](ClO4)2*2EtOH (where HL2b is (6-(hydroxyl(ethoxy)(pyridin-2-yl)methyl)pyridin-2-yl)(pyridin-2-yl)methanone; Bz = benzoato) (5). Their structural and magnetic characterizations are herein reported. All the metal ions show octahedral coordination geometry, which is slightly unusual for t…

StereochemistryCrystal structure010402 general chemistry01 natural sciencesMedicinal chemistryCoordination complexInorganic Chemistrychemistry.chemical_compoundDeprotonationMagnetic propertiesPyridineMaterials ChemistryPhysical and Theoretical ChemistryCoordination geometrychemistry.chemical_classification010405 organic chemistryChemistryLigand[CHIM.MATE]Chemical Sciences/Material chemistry0104 chemical sciences3. Good healthMetal-assisted solvent additionIntramolecular forceCrystal structuresAlkoxy groupCoordination compoundsPolyhedron
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ChemInform Abstract: UEBER ARSEN-HALTIGE HETEROCYCLEN 3. MITT. KRISTALLSTRUKTUR VON 2,6-DIMETHYL-4,4-DIPHENYL-1,4-OXOARSENANIUMBROMID-MONOHYDRAT

1975

Abstract The crystal structure of the title compound has been determined from single crystal X-ray data and refined to a conventional R factor of 0.046. The coordination of the As atom is tetrahedral with a mean As—C distance of 1.92 A. The six-membered heterocycle has chair conformation with two equatorial methyl and one equatorial and one axial phenyl substituent. The transannular 1,4-As⋯O distance is 3.11 A, interactions are discussed. The connection of the structure is more van der Waals than ionic type. Some unspecific gaps are statistically occupied by one molecule of crystal water.

StereochemistryCyclohexane conformationSubstituentIonic bondingGeneral MedicineCrystal structurechemistry.chemical_compoundsymbols.namesakeCrystallographychemistrysymbolsMoleculevan der Waals forceSingle crystalChemischer Informationsdienst
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Synthesis and crystal structure of {Rh2(O2CCH3)4·P(o-CH3OH6H4)Ph2}2. A novel dirhodium(II) monoadduct with intermolecular μ-oxo interactions

1997

Abstract We have investigated the reaction of dirhodium tetraacetate with the phosphine P( o -CH 3 OH 6 H 4 )Ph 2 (P) under different experimental conditions. From these reactions we have been able to isolate the dirhodium tetraacetate phosphine mono-adduct. The crystal structure shows that in the solid state this compound forms a centrosymmetric dimer of the dimer, {Rh 2 (O 2 CCH 3 ) 4 ·P(0-CH 3 OC 6 H 4 )Ph 2 } 2 , in which we oxygen atom from one acetate group in one Rh 2 (O 2 CCH 3 ) 4 ·P unit is axially coordinating one Rh atom on another Rh 2 (O 2 CCH 3 ) 4 · P unit (Rh⋯) 2.347(3) A intermolecular versus Rh⋯O 2.455(3) A intermolecular), and vice versa. The RhRh bond distance is 2.414…

StereochemistryDimerIntermolecular forceSolid-stateCrystal structureMedicinal chemistryDirhodium tetraacetateInorganic ChemistryBond lengthchemistry.chemical_compoundchemistryAtomMaterials ChemistryPhysical and Theoretical ChemistryPhosphineInorganica Chimica Acta
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Intramolecular ferro- and antiferromagnetic interactions in oxo-carboxylate bridged digadolinium(iii) complexes

2010

Two new digadolinium(III) complexes with monocarboxylate ligands, [Gd2(pac)6(H2O)4] (1) and [Gd2(tpac)6(H2O)4] (2) (Hpac = pentanoic acid and Htpac = 3-thiopheneacetic acid), have been prepared and their structures determined by X-ray diffraction on single crystals. Their structures consist of neutral and isolated digadolinium(III) units, containing six monocarboxylate ligands and four coordinated water molecules, the bridging skeleton being built by a muO(1):kappa2O(1)O(2) framework. This structural pattern has already been observed in the parent acetate-containing compound [Gd2(ac)6(H2O)4] x 4 H2O (3) whose structure and magnetic properties were reported elsewhere (L. Cañadillas-Delgado, …

StereochemistryGadoliniumchemistry.chemical_elementAtmospheric temperature rangeMagnetic susceptibilitySquare antiprismInorganic ChemistryCrystallographychemistry.chemical_compoundchemistryIntramolecular forceAntiferromagnetismMoleculeCarboxylateDalton Transactions
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Dinuclear and two- and three-dimensional gadolinium(III) complexes with mono- and dicarboxylate ligands: synthesis, structure and magnetic properties

2009

Three new gadolinium(III) complexes with carboxylate ligands of formula [Gd2(ac)6(H2O)4]·2H2O (1), [Gd2(ac)2(fum)2(H2O)4]n (2) and [Gd2(ox)(fum)2(H2O)4]n·4nH2O (3) (ac = acetate, fum = fumarate and ox = oxalate) have been prepared and their structures determined by X-ray diffraction on single crystals. The structure of 1 is made up of discrete centrosymmetric di-µ-oxo(carboxylate acetate)digadolinium(III) units with an intramolecular Gd⋯Gd separation of 4.1589(3) A. Each gadolinium atom in 1 is nine-coordinated with two water molecules and seven carboxylate-oxygen atoms from four acetate ligands building a monocapped square antiprism environment. Compound 2 exhibits a sheet-like structure, …

StereochemistryGadoliniumchemistry.chemical_elementGeneral ChemistryCondensed Matter PhysicsMagnetic susceptibilityOxalateSquare antiprismchemistry.chemical_compoundCrystallographychemistryIntramolecular forceAntiferromagnetismMoleculeGeneral Materials ScienceCarboxylateCrystEngComm
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Multitasking Water-Soluble Synthetic G-Quartets: From Preferential RNA-Quadruplex Interaction to Biocatalytic Activity

2013

Natural G-quartets, a cyclic and coplanar array of four guanine res- idues held together through a Watson- Crick/Hoogsteen hydrogen-bond net- work, have received recently much at- tention due to their involvement in G- quadruplex DNA, an alternative higher-order DNA structure strongly suspected to play important roles in key cellular events. Besides this, syn- thetic G-quartets (SQ), which artificial- ly mimic native G-quartets, have also been widely studied for their involve- ment in nanotechnological applications (i.e., nanowires, artificial ion channels, etc.). In contrast, intramolecular syn- thetic G-quartets (iSQ), also named template-assembled synthetic G-quar- tets (TASQ), have been…

StereochemistryGuanineSupramolecular chemistryDeoxyribozyme010402 general chemistryG-QuartetsG-quadruplex01 natural sciencesCatalysischemistry.chemical_compound[CHIM]Chemical SciencesComputingMilieux_MISCELLANEOUS010405 organic chemistryOrganic ChemistryWaterRNADNAGeneral Chemistry0104 chemical sciencesG-QuadruplexeschemistryIntramolecular forceBiocatalysisHeminRNAOxidation-ReductionDNA
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Folding Patterns in a Family of Oligoamide Foldamers

2015

A series of small, unsymmetrical pyridine-2,6-dicarboxylamide oligoamide foldamers with varying lengths and substituents at the end groups were synthetized to study their conformational properties and folding patterns. The @-type folding pattern resembled the oxyanion-hole motifs of enzymes, but several alternative folding patterns could also be characterized. Computational studies revealed several alternative conformers of nearly equal stability. These folding patterns differed from each other in their intramolecular hydrogen-bonding patterns and aryl-aryl interactions. In the solid state, the foldamers adopted either the globular @-type fold or the more extended S-type conformers, which w…

StereochemistryHydrogen bondChemistryOrganic Chemistrycrystal growthSolid-stateFoldamerGeneral ChemistryCatalysisoligomerizationCrystallographyLiquid stateIntramolecular forceprotein foldinghydrogen bondsMoleculeProtein foldingfoldamersConformational isomerismta116Chemistry: A European Journal
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Intramolecular versus intermolecular exchange pathways in the binuclear complex [Cu2(H2tea)2(4,4′-bipy)](ClO4)2·3H2O (H3tea=triethanolamine and 4,4′-…

2001

Abstract The binuclear copper(II) complex of formula [Cu2(H2tea)2(4,4′-bipy)](ClO4)2·3H2O (1) (H3tea=triethanolamine and 4,4′-bipy=4,4′-bipyridine) has been isolated and characterized by X-ray diffraction. Its structure consists of dinuclear [Cu2(H2tea)2(4,4′-bipy)]2+ cations, uncoordinated perchlorate anions and crystallization water molecules. Each copper atom exhibits a trigonal-bipyramidal environment with the three triethanolamine-oxygen atoms building the equatorial plane, and the triethanolamine-nitrogen and one of the 4,4′-bipy nitrogen atoms defining the three-fold axis. The 4,4′-bipy molecule acts as a bismonodentate bridging ligand, the copper–copper separation across it being 11…

StereochemistryIntermolecular forceBridging ligandCrystal structure44'-BipyridineInorganic ChemistryPerchloratechemistry.chemical_compoundCrystallographychemistryTriethanolamineIntramolecular forceMaterials ChemistrymedicineMoleculePhysical and Theoretical Chemistrymedicine.drugPolyhedron
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