Search results for "CRYSTALLOGRAPHY"

showing 10 items of 18525 documents

CCDC 922164: Experimental Crystal Structure Determination

2022

Related Article: Liāna Orola, Anatoly Mishnev, Dmitrijs Stepanovs, Agris Bērziņš|2022|ChemRxiv|||doi:10.26434/chemrxiv-2022-rb0xk

1-{[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino}imidazolidine-24-dione dimethyl sulfoxide solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1830058: Experimental Crystal Structure Determination

2019

Related Article: Jian Yang, Yoann Rousselin, Léo Bucher, Nicolas Desbois, Frédéric Bolze, Hai-Jun Xu, Claude P. Gros|2018|ChemPlusChem|83|838|doi:10.1002/cplu.201800361

1010'-[oxybis(21-phenylene)]bis(28-diethyl-55-difluoro-1379-tetramethyl-5H-4lambda55lambda5-dipyrrolo[12-c:2'1'-f][132]diazaborinine)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1411816: Experimental Crystal Structure Determination

2016

Related Article: Samvel N. Sirakanyan, Domenico Spinelli, Athina Geronikaki, Viktor G. Kartsev, Henrik A. Panosyan, Armen G. Ayvazyan, Rafael A. Tamazyan, Vincenzo Frenna, Anush A. Hovakimyan|2016|Tetrahedron|72|1919|doi:10.1016/j.tet.2016.02.048

10-isobutyl-89-dihydro-7H-cyclopenta[4'5']pyrido[3'2':45]thieno[23-e]tetrazolo[15-c]pyrimidineSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Structural analysis of Cu(II) ligation to the 5'-GMP nucleotide by pulse EPR spectroscopy.

2007

JBIC Journal of Biological Inorganic Chemistry, 12 (6)

10120 Department of ChemistryConformational change1303 BiochemistryAnalytical chemistryGuanosine MonophosphateLigandsBiochemistrylaw.inventionInorganic Chemistrycopper; electron-nuclear double resonance; hyperfine sublevel correlation spectroscopy; pulse electron paramagnetic resonance spectroscopy; nucleotidelaw540 ChemistryOrganometallic CompoundsDNA Z-FormElectron paramagnetic resonanceHyperfine structurehyperfine sublevel correlation spectroscopyElectron nuclear double resonanceMolecular StructurePulsed EPRChemistryLigand1604 Inorganic ChemistryElectron Spin Resonance SpectroscopyDNAnucleotideSettore FIS/07 - Fisica Applicata(Beni Culturali Ambientali Biol.e Medicin)CrystallographyUnpaired electronpulse electron paramagnetic resonance spectroscopyNucleic Acid Conformationelectron-nuclear double resonanceTwo-dimensional nuclear magnetic resonance spectroscopyCopperJournal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry
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Syntheses and properties of tetrathio- and tetraseleno metalates [(C5Me4R)2NbE2]2M (E=S, Se; M=Cr, Mo; R=Me, Et) with peripheric niobocene ligands

1998

Abstract Reactions of Cp*2Nb(η2-S2)H 1 (Cp*=C5Me5 (a), C5Me4Et (b)) and Cp*2Nb(η2-Se2H) 3 with 0.5 equivalents of M(CO)6 (M=Cr, Mo) in boiling toluene give the CO free complexes [Cp*2NbE2]2M 4–7. X-ray diffraction analyses have been carried out for the Mo complexes 5a (E=S) and 7a (E=Se) showing that the structures contain ME4 tetrahedral cores with two attached niobocene ligands thus forming a nearly linear trimetallic unit. Absorption spectra and electrochemical studies of complexes 4–7 are described. Characteristic of the novel CrSe4 chromophor are four reversible one electron redox steps. Chemical oxidation of 4a and 5a with [(C5H5)2Fe]PF6 gives the salts {[Cp*2NbS2]2M}PF6 (M=Cr, Mo) 10…

10120 Department of ChemistryElectron density1303 BiochemistryAbsorption spectroscopy1604 Inorganic ChemistryOrganic Chemistrychemistry.chemical_elementElectrochemistryBiochemistrySulfurTolueneRedoxInorganic ChemistryCrystallographychemistry.chemical_compoundchemistry540 ChemistryMaterials ChemistryPhysical and Theoretical Chemistry1606 Physical and Theoretical Chemistry2505 Materials Chemistry1605 Organic Chemistry
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Crystal and solution structures of di-n-butyltin(IV) complexes of 5-[(E)-2-(4-methoxyphenyl)-1-diazenyl]quinolin-8-ol and benzoic acid derivatives: E…

2009

Abstract Reactions of nBu2SnCl(L1) (1), where L1 = acid residue of 5-[(E)-2-(4-methoxyphenyl)-1-diazenyl]quinolin-8-ol, with various substituted benzoic acids in refluxing toluene, in the presence of triethylamine, yielded dimeric mixed ligand di-n-butyltin(IV) complexes of composition [nBu2Sn(L1)(L2–6)]2 where L2 = benzene carboxylate (2), L3 = 2-[(E)-2-(2-hydroxy-5-methylphenyl)-1-diazenyl]benzoate (3), L4 = 5-[(E)-2-(4-methylphenyl)-1-diazenyl]-2-hydroxybenzoate (4), L5 = 2-{(E)-4-hydroxy-3-[(E)-4-chlorophenyliminomethyl]-phenyldiazenyl}benzoate (5) and L6 = 2-[(E)-(3-formyl-4-hydroxyphenyl)-diazenyl]benzoate (6). All complexes (1–6) have been characterized by elemental analyses, IR, 1H,…

10120 Department of Chemistry[(E)81303 Biochemistry5DenticityStereochemistry12Crystal structuredinBiochemistrybutyltin(IV) complexes(4Inorganic Chemistrychemistry.chemical_compoundPentagonal bipyramidal molecular geometry540 ChemistryMaterials ChemistryCarboxylatePhysical and Theoretical Chemistry2505 Materials ChemistryCoordination geometryXmixed ligandsol1604 Inorganic ChemistryChemistryCrystal structurebenzoic acidOrganic Chemistry5-[(E)-2-(4-methoxyphenyl)-1- diazenyl]quinolin-8-ol Di-n-butyltin(IV) complexes Benzoic acid Mixed ligands Solution and solid-state tin NMR Crystal structureNuclear magnetic resonance spectroscopysolution and solid state tinNMRBond lengthTrigonal bipyramidal molecular geometryCrystallographydiazenyl]quinolinmethoxyphenyl)Settore CHIM/03 - Chimica Generale E Inorganica1606 Physical and Theoretical Chemistry1605 Organic Chemistry
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CCDC 853880: Experimental Crystal Structure Determination

2012

Related Article: L.Kaufmann, E.V.Dzyuba, F.Malberg, N.L.Low, M.Groschke, B.Brusilowskij, J.Huuskonen, K.Rissanen, B.Kirchner, C.A.Schalley|2012|Org.Biomol.Chem.|10|5954|doi:10.1039/c2ob25196e

11'29'-Di-t-butyl-5'17'23'35'38'40'43'45'-octamethyl-7'15'25'33'-tetraazadispiro[cyclohexane-12'-heptacyclo-[32.2.2.2^36^.2^1619^.2^2124^.1^913^.1^2731^]hexatetracontane-20'1''-cyclohexane]-1'(36')3'5'9'(44')10'12'16'18'21'23'27'(39')28'30'34'37'-40'42'45'-octadecaene-8'14'26'32'-tetrone NN'-(ethane-12-diyl)-bis(N-methylbenzamide) chloroform solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Superfluorinated ionic liquid crystals based on supramolecular, halogen-bonded anions

2016

Unconventional ionic liquid crystals in which the liquid crystallinity is enabled by halogen-bonded supramolecular anions [CnF2 n+1-I⋯I⋯I-CnF2 n+1]- are reported. The material system is unique in many ways, demonstrating for the first time 1) ionic, halogen-bonded liquid crystals, and 2) imidazolium-based ionic liquid crystals in which the occurrence of liquid crystallinity is not driven by the alkyl chains of the cation. Out of the ordinary: The high directionality of halogen bonds and the fluorophobic effect were exploited in the design and synthesis of a new family of unconventional superfluorinated ionic liquid crystals. The liquid crystallinity of the system is driven by halogen-bonded…

116 Chemical sciencesInorganic chemistry1600Supramolecular chemistryIonic bonding010402 general chemistry01 natural sciencesCatalysissupramolecular chemistryCrystallinitychemistry.chemical_compoundLiquid crystal1503ta116Alkylchemistry.chemical_classificationHalogen bondionic liquid crystal010405 organic chemistryChemistryCommunicationChemistry (all)Self-assemblyGeneral MedicineGeneral Chemistryself-assemblyFluorophobic effect; Halogen bonding; Ionic liquid crystals; Self-assembly; Supramolecular chemistry; Chemistry (all); CatalysisCommunicationsfluorophobic effect0104 chemical sciencesCrystallographyhalogen bondingIonic liquidIonic liquid crystalsSettore CHIM/07 - Fondamenti Chimici Delle TecnologieFluorophobic effectSelf-assemblyHalogen bondingionic liquid crystalsSupramolecular chemistry
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Short X···N Halogen Bonds With Hexamethylenetetraamine as the Acceptor

2021

Hexamethylenetetramine (HMTA) and N-haloimides form two types of short (imide)X···N and X–X···N (X = Br, I) halogen bonds. Nucleophilic substitution or ligand-exchange reaction on the peripheral X of X–X···N with the chloride of N-chlorosuccinimide lead to Cl–X···N halogen-bonded complexes. The 1:1 complexation of HMTA and ICl manifests the shortest I···N halogen bond [2.272(5) Å] yet reported for an HMTA acceptor. Two halogen-bonded organic frameworks are prepared using 1:4 molar ratio of HMTA and N-bromosuccinimide, each with a distinct channel shape, one possessing oval and the other square grid. The variations in channel shapes are due to tridentate and tetradentate (imide)Br···N coordi…

116 Chemical scienceschemistry.chemical_elementHMTAN-haloimidechemistry.chemical_compoundkemialliset sidoksethalogen bond. hexamethylenetetraamine. N-haloimide.Nucleophilic substitutionsupramolekulaarinen kemiaQD1-999orgaaniset yhdisteetOriginal ResearchInterhalogenHalogen bondBrominehalogeenitChemistryhexamethylenetetraaminehalogen bond. hexamethylenetetraamine. N-haloimideGeneral ChemistryAcceptorChemistryCrystallographyCovalent bondinterhalogenHalogendihalogenhalogen bondHexamethylenetetramine
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CCDC 1456785: Experimental Crystal Structure Determination

2016

Related Article: Beáta Fekete, Márta Palkó, István Mándity, Matti Haukka, Ferenc Fülöp|2016|Eur.J.Org.Chem.|2016|3519|doi:10.1002/ejoc.201600434

12-hydroxy-312-diazapentacyclo[13.2.1.0214.0311.0510]octadeca-57916-tetraene-413-dione monohydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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