Search results for "PAPER"

showing 10 items of 2166 documents

N-{4-[(3-Methyl-phen-yl)sulfamo-yl]phen-yl}benzamide.

2011

In the title compound, C20H18N2O3S, the dihedral angle between the central benzene ring and the amide group is 24.1 (3)° and that between this ring and the aromatic ring of the tolyl group is 68.2 (16)°. In the crystal, adjacent molecules are linked by N—H...O hydrogen bonds into a linear chain running along [100]. Weak C—H...O contacts also occur. Extensive weak π–π interactions exist from both face-to-face and face-to-edge interactions occur between the aromatic rings [centroid–centroid distances = 3.612 (2) and 4.843 (2) Å].

CrystallographyHydrogen bondAromaticityGeneral ChemistryDihedral angleCondensed Matter PhysicsBioinformaticsRing (chemistry)Organic PapersCrystalchemistry.chemical_compoundCrystallographychemistryQD901-999AmideGeneral Materials ScienceBenzamideBenzeneta116Acta crystallographica. Section E, Structure reports online
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3-(2,4-Dimethoxyanilino)-8-methoxydibenz[b,e]oxepin-11(6H)-one

2011

In the title compound, C23H21NO5, the two benzene rings of the tricyclic unit are oriented at a dihedral angle of 37.5 (8)°. The 2,4-dimethoxyanilino residue is oriented at a dihedral angle of 60.2 (8)° towards the phenoxy ring. In the crystal, the central carbonyl O atom accepts two hydrogen bonds from the N—H and C—H groups. A further intermolecular C—H...O interaction involving one of the methoxy O atoms is also observed.

CrystallographyHydrogen bondChemistryGeneral ChemistryMeth-Dihedral angleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic PapersMedicinal chemistryCrystalchemistry.chemical_compoundQD901-999General Materials ScienceBenzeneActa Crystallographica Section E Structure Reports Online
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4-[3-(4-Fluorophenyl)quinoxalin-2-yl]-N-isopropylpyridin-2-amine

2009

In the crystal structure of the title compound, C22H19FN4, the quinoxaline system makes dihedral angles of 32.07 (13) and 69.64 (13)° with the 4-fluorophenyl and pyridine rings, respectively. The 4-fluorophenyl ring makes a dihedral angle of 71.77 (16)° with the pyridine ring. The crystal structure is stabilized by intermolecular N—H...N hydrogen bonding.

CrystallographyHydrogen bondGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsBioinformaticsRing (chemistry)Organic PapersMedicinal chemistrychemistry.chemical_compoundQuinoxalinechemistryQD901-999PyridineGeneral Materials ScienceAmine gas treatingIsopropylActa Crystallographica Section E Structure Reports Online
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4-(4-Fluorophenyl)-1-(4-nitrophenyl)-3-(pyridin-4-yl)-1H-pyrazol-5-amine

2012

In the crystal structure of the title compound, C20H14FN5O2, the pyrazole ring forms dihedral angles of 59.3 (2), 25.6 (2) and 46.0 (2)° with the directly attached 4-fluorophenyl, pyridine and nitrophenyl rings, respectively. The crystal packing is characterized by intermolecular N—H...N and N—H...O hydrogen bonds.

CrystallographyHydrogen bondGeneral ChemistryCrystal structurePyrazoleDihedral angleCondensed Matter PhysicsBioinformaticsRing (chemistry)Organic PapersMedicinal chemistryCrystalchemistry.chemical_compoundchemistryQD901-999PyridineNitroGeneral Materials ScienceActa Crystallographica Section E Structure Reports Online
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3-(2,4-Difluoro-anilino)-9-nitro-dibenzo[b,e]oxepin-11(6H)-one.

2011

In the title compound, C20H12F2N2O4, the two benzene rings of the tricyclic unit are oriented at a dihedral angle of 30.6 (1)°. The 2,4-difluoroanilino residue is oriented at a dihedral angle of 68.2 (1)° with respect to the phenoxy ring. In the crystal, N—H...O hydrogen bonds between the amino group and the carbonyl O atom of the oxepinone ring link the molecules into infinte chains along the c axis.

CrystallographyHydrogen bondGeneral ChemistryDihedral angleCondensed Matter PhysicsBioinformaticsRing (chemistry)Organic PapersCrystalchemistry.chemical_compoundCrystallographyResidue (chemistry)chemistryQD901-999NitroGeneral Materials ScienceBenzeneUnit (ring theory)Acta crystallographica. Section E, Structure reports online
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N-[2-(2,2-Di­methyl­propanamido)­pyrimidin-4-yl]-2,2-di­methyl­propanamide n-hexane 0.25-solvate hemihydrate

2013

The asymmetric unit of the title compound, C14H22N4O2·0.25C6H14·0.5H2O, contains two independent molecules of 2,4-bis(pivaloylamino)pyrimidine (M) with similar conformations, one water molecule and one-halfn-hexane solvent molecule situated on an inversion center. In one independentMmolecule, one of the twotert-butyl groups is rotationally disordered between two orientations in a 3:2 ratio. Then-hexane solvent molecule is disordered between two conformations in the same ratio. The water molecule bridges two independentMmoleculesviaO—H...O, N—H...O and O—H...N hydrogen bonds into a 2M·H2O unit, and these units are further linked by N—H...N hydrogen bonds into chains running in the [010] dire…

CrystallographyHydrogen bondHemihydrateGeneral Chemistrydata-to-parameter ratio = 14.2T = 123 KR factor = 0.079Condensed Matter PhysicsBioinformaticsPropanamideOrganic PapersSolventHexaneCrystallographychemistry.chemical_compoundwR factor = 0.164chemistryQD901-999mean σ(C–C) = 0.006 Åsingle-crystal X-ray studyGeneral Materials Scienceta116disorder in main residue
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(Z)-4-(2-Naphthylamino)pent-3-en-2-one

2011

The title compound, C15H15NO, which was synthesized under solvent-free conditions by the reaction of acetoacetone and 2-naphthylamine, adopts a Z conformation about the C=C bond. The enamine–ketone fragment is approximately planar [maximum deviation = 0.026 (3) Å] and forms a dihedral angle of 39.78 (3)° with the naphthalene ring system. An intramolecular N—H...O hydrogen bond is observed.

CrystallographyHydrogen bondMaximum deviationGeneral ChemistryDihedral angleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic Paperschemistry.chemical_compoundCrystallographychemistryQD901-999General Materials ScienceNaphthaleneActa Crystallographica Section E
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2-(Benzylsulfanyl)pyridineN-oxide

2008

In the title compound, C12H11NOS, the dihedral angle between the oxopyridinium and phenyl rings is 58.40 (1)°. The crystal structure is stabilized by C—H...O hydrogen bonds, π–π stacking interactions involving the pyridinium rings [centroid–centroid distance = 3.6891 (9) Å] and C—H...π interactions.

CrystallographyHydrogen bondStackingPyridine-N-oxideGeneral ChemistryCrystal structureDihedral angleCondensed Matter Physicscomputer.software_genreOrganic Paperschemistry.chemical_compoundCrystallographychemistryQD901-999General Materials SciencePyridiniumData miningcomputerActa Crystallographica Section E Structure Reports Online
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2-(4-Fluorophenyl)-3-(4-pyridyl)pyrido[2,3-b]pyrazine

2009

In the crystal structure of the title compound, C18H11FN4, the pyridopyrazine system makes dihedral angles of 45.51 (7) and 44.75 (7)° with the attached 4-fluorophenyl ring and the pyridine ring, respectively. The 4-fluorophenyl ring makes a dihedral angle of 54.54 (8)° with the pyridine ring. The pyridine ring part of the pyridopyrazine ring and the pyrazine ring of two c-glide-plane-related molecules form π–π interactions. The angle between the planes is 2.09 (7)° and the distance between the centroids is 3.557 (1)Å.

CrystallographyPyrazineChemistryGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsRing (chemistry)Organic Paperschemistry.chemical_compoundCrystallographyQD901-999PyridineGeneral Materials ScienceActa Crystallographica Section E
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3-(4-Fluorophenyl)-2-(4-pyridyl)pyrido[2,3-b]pyrazine

2009

In the crystal structure of the title compound, C18H11FN4, the pyridopyrazine ring makes dihedral angles of 34.67 (7) and 52.24 (7)° with the 4-fluorophenyl and pyridine rings, respectively. The 4-fluorophenyl ring makes a dihedral angle of 59.56 (9)° with the pyridine ring.

CrystallographyPyrazineGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsRing (chemistry)Organic PapersCrystallographychemistry.chemical_compoundchemistryQD901-999PyridineGeneral Materials ScienceActa Crystallographica Section E Structure Reports Online
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