Search results for "CONDENSED MATTER"

showing 10 items of 13918 documents

(1aR,2aS,5aS,5bS)-Perhydro-4H-oxireno[3,4]cyclopenta[1,2-b]furan-4-one

2007

The structure of the title compound, C7H8O3, was determined in the course of our studies of the synthesis of cyclopenta[1,2-b]furan-4-one derivatives. The molecule has four chiral C atoms. The X-ray crystal structure analysis shows the compound to possess an epoxide group with an endo orientation with respect to the lactone group.

chemistry.chemical_classificationchemistry.chemical_compoundchemistryGroup (periodic table)StereochemistryFuranEpoxideGeneral Materials ScienceGeneral ChemistryCrystal structureCondensed Matter PhysicsLactoneActa Crystallographica Section E Structure Reports Online
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(2aRS,3RS,4aSR,6aRS,6bSR)-3-Hydroxy-2a,3,4a,6,6a,6b-hexahydro-1,4-dioxacyclopenta[cd]pentalen-2(5H)-one

2007

The mol­ecular structure of the title compound [enanti­omers (VIII) and (VIIIa)], C8H10O4, was determined in the course of our studies on the synthesis of cyclo­penta­[1,2-b]furan-4-one derivatives. Tricyclic (VIIIa) consists of a planar bridged lactone unit and the two other ring systems in the envelope conformation. It contains five chiral C atoms and was obtained as a racemic mixture. The X-ray analysis showed the compound to possess a half-acetal unit with an endo orientation of the half-acetal ether bridge with respect to the lactone unit.

chemistry.chemical_classificationchemistry.chemical_compoundchemistryStereochemistryRacemic mixtureGeneral Materials ScienceEtherGeneral ChemistryCondensed Matter PhysicsRing (chemistry)LactoneActa Crystallographica Section E Structure Reports Online
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Crystal structure of isobutylammonium hydrogen oxalate hemihydrate

2014

In the title hydrated molecular salt, C4H12N+·C2HO4−·0.5H2O, the O atom of the water molecule lies on a crystallographic twofold axis. The dihedral angle between the CO2and CO2H planes of the anion is 18.47 (8)°. In the crystal, the anions are connected to each other by strong near-linear O—H...O hydrogen bonds. The water molecules are located between the chains of anions and isobutylamine cations; their O atoms participate as donors and acceptors, respectively, in O—H...O and N—H...O hydrogen bonds, which form channels (dimensions = 4.615 and 3.387 Å) arranged parallel to [010].

chemistry.chemical_classificationcrystal structureCrystallographyChemistryHydrogen bondmaterials engineeringSalt (chemistry)isobutylammonium hydrogen oxalate hemihydrateGeneral ChemistryCrystal structureDihedral anglehydrated mol­ecular salthydrogen bondingCondensed Matter PhysicsData ReportsAmmonium hydrogen oxalate hemihydrateIonCrystalhydrated molecular saltCrystallographyQD901-999AtomGeneral Materials Scienceiso­butyl­ammonium hydrogen oxalate hemihydrateActa Crystallographica Section E Structure Reports Online
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Coordination complexes of chromium(0) with a series of 1,3-diphenyl-6-arylfulvenes

2018

The synthesis and structural properties of a series of chromium tricarbonyl `piano-stool' complexes bearing substituted pentafulvene ligands were studied. The complexes, tricarbonyl(1,3,6-triphenylfulvene)chromium(0) benzene hemisolvate, [Cr(C24H18)(CO)3]·0.5C6H6 (I), tricarbonyl[1,3-diphenyl-6-(3-vinylphenyl)fulvene]chromium(0), [Cr(C26H20)(CO)3] (II), and tricarbonyl[1,3-diphenyl-6-(pyren-1-yl)fulvene]chromium(0), [Cr(C34H22)(CO)3] (III), each have a distorted octahedral geometry, with the fulvene coordinated in a π–η2:π–η2:π–η2 fashion. Significant deviation of the exocyclic fulvene double bond from the cyclopentadiene plane accompanies coordination. Evidence of non-covalent π–π interact…

chemistry.chemical_classificationcrystal structureCrystallographyDouble bond010405 organic chemistryArylpiano stoolchemistry.chemical_elementGeneral ChemistryCrystal structure010402 general chemistryCondensed Matter PhysicsFulvenes01 natural sciencesMedicinal chemistry0104 chemical scienceschemistry.chemical_compoundChromiumpentafulvenechemistryQD901-999General Materials Sciencechromiumπ-π interactionsFulveneActa Crystallographica Section E Crystallographic Communications
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Crystal structure of diethyl (E)-2-[(benzofuran-2-yl)methylidene]succinate

2015

The title compound, C17H18O5, was synthesized by a base-free catalytic Wittig reaction. The molecule consists of a diethyl itaconate unit, which is connectedviathe C=C double bond to a benzofuran moiety. The benzofuran ring system (r.m.s. deviation = 0.007 Å) forms dihedral angles of 79.58 (4) and 12.12 (10)° with the mean planes through thecisandtransethoxycarbonyl groups, respectively. An intramolecular C—H...O hydrogen bond involving the O atom of the benzofuran moiety is observed. In the crystal, molecules are linked into ribbons running parallel to thebaxis by C—H...O hydrogen bonds.

chemistry.chemical_classificationcrystal structureCrystallographyDouble bondChemistryStereochemistryHydrogen bondbenzofuranGeneral ChemistryDihedral anglebenzo­furanCondensed Matter PhysicsRing (chemistry)hydrogen bondingMedicinal chemistryData Reportsdienechemistry.chemical_compoundQD901-999FuranWittig reactionMoietyGeneral Materials ScienceWittig reactionCis–trans isomerismActa Crystallographica Section E: Crystallographic Communications
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Crystal structure and Hirshfeld surface analysis of (E)-3-(benzylideneamino)-5-phenylthiazolidin-2-iminium bromide

2020

The central thiazolidine ring of the title salt, C16H16N3S+center dot Br-, adopts an envelope conformation, with the C atom bearing the phenyl ring as the flap atom. In the crystal, the cations and anions are linked by N-H center dot center dot center dot Br hydrogen bonds, forming chains parallel to the b-axis direction. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H center dot center dot center dot H (46.4%), C center dot center dot center dot H/H center dot center dot center dot C (18.6%) and H center dot center dot center dot Br/Br center dot center dot center dot H (17.5%) interactions.

chemistry.chemical_classificationcrystal structureCrystallographyHydrogen bondIminiumSalt (chemistry)General ChemistryCrystal structureCondensed Matter::Mesoscopic Systems and Quantum Hall EffectCondensed Matter PhysicsRing (chemistry)Crystalchemistry.chemical_compoundCrystallographychemistryBromideQD901-999Atomcharge assisted hydrogen bondinghirshfeld surface analysisthiazolidine ringenvelope conformationGeneral Materials ScienceActa Crystallographica Section E: Crystallographic Communications
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Crystal structure of (E)-4-methoxy-2-{[(5-methylpyridin-2-yl)imino]methyl}phenol

2015

The molecule of the title Schiff base compound, C14H14N2O2, displays anEconformation with respect the imine C=N double bond. The molecule is approximately planar, with the dihedral angle formed by the planes of the pyridine and benzene rings being 5.72 (6)°. There is an intramolecular hydrogen bond involving the phenolic H and imine N atoms.

chemistry.chemical_classificationcrystal structureCrystallographySchiff baseDouble bondStereochemistryHydrogen bondintramolecular hydrogen bondImineintra­molecular hydrogen bondN-heterocycleGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsMedicinal chemistryData ReportsSchiff basechemistry.chemical_compoundchemistryQD901-999PyridineGeneral Materials ScienceBenzeneActa Crystallographica Section E Crystallographic Communications
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Crystal structures of isomeric 3,5-dichloro-N-(2,3-dimethylphenyl)benzenesulfonamide, 3,5-dichloro-N-(2,6-dimethylphenyl)benzenesulfonamide and 3,5-d…

2017

The crystal structures of three isomeric compounds of formula C14H13Cl2NO2S, namely 3,5-dichloro-N-(2,3-dimethylphenyl)-benzenesulfonamide (I), 3,5-dichloro-N-(2,6-dimethylphenyl)benzenesulfonamide (II) and 3,5-dichloro-N-(3,5-dimethylphenyl)benzenesulfonamide (III) are described. The molecules of all the three compounds are U-shaped with the two aromatic rings inclined at 41.3 (6)° in (I), 42.1 (2)° in (II) and 54.4 (3)° in (III). The molecular conformation of (II) is stabilized by intramolecular C—H...O hydrogen bonds and C—H...π interactions. The crystal structure of (I) features N—H...O hydrogen-bonded R 2 2(8) loops interconnected via C(7) chains of C—H...O interactions, forming a thre…

chemistry.chemical_classificationcrystal structureC—H...O interactionsCrystallography010405 organic chemistryHydrogen bondAromaticityGeneral ChemistryCrystal structure010403 inorganic & nuclear chemistryCondensed Matter Physics01 natural sciences0104 chemical sciencesSulfonamideCrystallographychemistry.chemical_compoundN—H...O hydrogen bondsC—H...π interactionschemistryQD901-999sulfonamidesπ–π interactionsGeneral Materials ScienceBenzeneActa Crystallographica Section E: Crystallographic Communications
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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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Crystal structure of 2-methyl-1H-imidazol-3-ium aquatrichlorido(oxalato-κ2O,O′)stannate(IV)

2015

N—H⋯O, N—H⋯Cl and O—H⋯O hydrogen bonds between cations and anions in the complex salt (C4H7N2)+[Sn(H2O)Cl3(C2O4)]− are responsible for the formation of a three-dimensional network structure.

chemistry.chemical_classificationcrystal structureStannateLigandHydrogen bondorganotin(IV) complexInorganic chemistrychemistry.chemical_elementSalt (chemistry)General ChemistryCrystal structureCondensed Matter PhysicsMedicinal chemistryOxalateResearch Communicationslcsh:Chemistrychemistry.chemical_compoundchemistrylcsh:QD1-999hydrogen bondsGeneral Materials ScienceChelationTinActa Crystallographica Section E: Crystallographic Communications
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