Search results for "CRYSTALLOGRAPHY"

showing 10 items of 18525 documents

CCDC 1880603: Experimental Crystal Structure Determination

2018

Related Article: M.M. Abdou, M. Matziari, P.M. O'Neill, E. Amigues, R. Zhou, R. Wang, B.F. Ali|2018|IUCrData|3|x181662|doi:10.1107/S2414314618016620

methyl 3-(2-hydroxyphenyl)propanoateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1825949: Experimental Crystal Structure Determination

2018

Related Article: Jacques Pliquett, Souheila Amor, Miguel Ponce-Vargas, Myriam Laly, Cindy Racoeur, Yoann Rousselin, Franck Denat, Ali Bettaïeb, Paul Fleurat-Lessard, Catherine Paul, Christine Goze, Ewen Bodio|2018|Dalton Trans.|47|11203|doi:10.1039/C8DT02364F

methyl 4-(37-dichloro-55-difluoro-5H-4lambda55lambda5-dipyrrolo[12-c:2'1'-f][132]diazaborinin-10-yl)benzoateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1010853: Experimental Crystal Structure Determination

2014

Related Article: Linda Ta, Anton Axelsson, Joachim Bijl, Matti Haukka, Henrik Sundén|2014|Chem.-Eur.J.|20|13889|doi:10.1002/chem.201404288

methyl 4-(3-methylphenyl)-6-oxo-36-diphenylhexanoateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 993834: Experimental Crystal Structure Determination

2014

Related Article: Inguna Goba, Baiba Turovska, Sergey Belyakov, Edvards Liepinsh|2014|J.Mol.Struct.|1074|549|doi:10.1016/j.molstruc.2014.06.044

methyl 5-acetyl-26-dimethyl-4-phenyl-14-dihydropyridine-3-carboxylateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1831928: Experimental Crystal Structure Determination

2019

Related Article: Filip Topić, Katarina Lisac, Mihails Arhangelskis, Kari Rissanen, Dominik Cinčić, Tomislav Friščić|2019|Chem.Commun.|55|14066|doi:10.1039/C9CC06735C

methyl(oxo)diphenyl-phosphaneSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions

2012

Up to five different crystalline radical salts have been prepared with the organic donor BEDT-TTF and three different polynitrile anions. With the polynitrile dianion tcpd2− (=C[C(CN)2]32−), two closely related radical salts: α'-(ET)4tcpd·THF (1) (THF = tetrahydrofurane) and α'-(ET)4tcpd·H2O (2) have been prepared, depending on the solvent used in the synthesis. With the mono-anion tcnoetOH− (=[(NC)2CC(OCH2CH2OH)C(CN)2]−) two polymorphs with similar physical properties but different crystal packings have been synthesized: θ-(ET)2(tcnoetOH) (3) and β''-(ET)2(tcnoetOH) (4). Finally, with the mono-anion tcnoprOH− (=[(NC)2CC(OCH2CH2CH2OH)C(CN)2]−) we have prepared a metallic…

molecular conductorsGeneral Chemical EngineeringInorganic chemistrybis(ethylenedithio)tetrathiafulvalene; polycyano anions; molecular conductors; synthetic metals02 engineering and technology010402 general chemistry01 natural sciencesMedicinal chemistrysynthetic metalsInorganic ChemistryMetalCrystalbis(ethylenedithio)tetrathiafulvalenelcsh:QD901-999[CHIM.CRIS]Chemical Sciences/Cristallography[CHIM]Chemical SciencesGeneral Materials Sciencepolycyano anionsChemistry021001 nanoscience & nanotechnologyCondensed Matter Physics0104 chemical sciencesSolventPolymorphism (materials science)visual_artvisual_art.visual_art_mediumlcsh:Crystallography0210 nano-technology
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Chemoselective, Substrate-directed Fluorination of Functionalized Cyclopentane β-Amino Acids

2016

This work describes a substrate-directed fluorination of some highly functionalized cyclopentane derivatives. The cyclic products incorporating CH2 F or CHF2 moieties in their structure have been synthesized from diexo- or diendo-norbornene β-amino acids following a stereocontrolled strategy. The synthetic study was based on an oxidative transformation of the ring carbon-carbon double bond of the norbornene β-amino acids, followed by transformation of the resulted "all cis" and "trans" diformyl intermediates by fluorination with "chemodifferentiation".

molecular diversitycyclizationDouble bondHalogenationHydrocarbons FluorinatedStereochemistryMolecular Conformationchemistry.chemical_elementCyclopentanes010402 general chemistryRing (chemistry)Crystallography X-Ray01 natural sciencesBiochemistrychemistry.chemical_compoundfluorineCyclopentaneta116Norbornenechemistry.chemical_classificationamino acidssubstituent effects010405 organic chemistryOrganic ChemistrySubstrate (chemistry)StereoisomerismGeneral Chemistry0104 chemical sciencesAmino acidchemistryFluorineOxidation-ReductionChemistry: An Asian Journal
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Magneto-structural correlations in discrete $Mn^{II}‐W^V$ cyano‐bridged assemblies with polyimine ligands

2010

We present the magneto-structural correlations for two novel discrete cyano-bridged assemblies based on cationic complexes of manganese(II) with diimine ligands and octacyanotungstate(V) ions. The crystal structure of [Mn II (terpy)(dmf)-(H 2 O) 2 ][Mn II (terpy)(H 2 O)(dmf)(μ-NC)W V (CN) 7 ] 2· 6H 2 O (1) (terpy = 2,2';6',2"-terpyridine, dmf = dimethylformamide) contains dinuclear {Mn II W V } - cyano-bridged anions, while the crystal structure of [Mn II (phen) 3 ] 2 [MnII(phen) 2 (μ-NC) 2 -W V (CN) 6 ] 2 (ClO 4 ) 2 ·9H 2 O (2) (phen = 1,10-phenanthroline) is built of tetranuclear {Mn II 2 W V 2} 2- square anions. Intramolecular Mn-W magnetic interactions through the cyano bridges are repr…

molecular squaresStereochemistrytungstenstructure elucidationCationic polymerizationchemistry.chemical_elementcyanidesCrystal structureManganeseIonInorganic Chemistrychemistry.chemical_compoundCrystallographyAtomic orbitalchemistryIntramolecular forcemanganeseDimethylformamidemagnetic propertiesDiimine
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Structures and energetic properties of 4-halobenzamides

2018

The amide bond represents one of the most fundamental functional groups in chemistry. The properties of amides are defined by amidic resonance (nN→π*C=O conjugation), which enforces planarity of the six atoms comprising the amide bond. Despite the importance of 4-halo-substituted benzamides in organic synthesis, molecular interactions and medicinal chemistry, the effect of 4-halo-substitution on the properties of the amide bond in N,N-disubstituted benzamides has not been studied. Herein, we report the crystal structures and energetic properties of a full series of 4-halobenzamides. The structures of four 4-halobenzamides (halo = iodo, bromo, chloro and fluoro) in the N-morpholinyl series h…

morpholinyl amidescrystal structure010405 organic chemistryCrystal structure010402 general chemistryCondensed Matter PhysicsRing (chemistry)Resonance (chemistry)01 natural sciences0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryresonance energiestwisted amidesMorpholineAmideamide bondsHalogenMaterials ChemistryPeptide bondOrganic synthesisPhysical and Theoretical ChemistryActa Crystallographica Section C Structural Chemistry
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Synthesis, electron microscopy and X-ray characterization of oxymagnesite, MgO·2MgCO3, formed from amorphous magnesium carbonate

2014

At present, the peculiar compound called oxymagnesite, MgO·2MgCO3, an intermediate formed during thermal decomposition of hydrated magnesium carbonates, has only been described a handful of times without a distinct description of its formation or morphology. In the current work we present the first scanning and transmission electron microscopy images of an oxymagnesite crystal together with its crystallographic data. Oxymagnesite was synthesized in a controlled manner via decomposition of amorphous magnesium carbonates (AMCs) subjected to varying relative humidity. We show that oxymagnesite is formed only when AMC is hydrated above a certain level, which we attribute to structural inequival…

musculoskeletal diseasesMagnesiumThermal decompositionchemistry.chemical_elementGeneral ChemistryCondensed Matter PhysicsDecompositionlaw.inventionAmorphous solidCrystalCrystallographychemistryTransmission electron microscopylawGeneral Materials ScienceRelative humidityElectron microscopeCrystEngComm
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