Search results for "Paper"

showing 10 items of 2166 documents

Bis(N,N′-diphenylbenzamidinium) fumarate

2010

The crystal structure of the title compound, 2C(19)H(17)N(2) (+)·C(4)H(2)O(4) (2-), consists of centrosymmetric trimers built up of two crystallographically independent N,N'-diphenyl-benzamid-in-ium cations and one fumarate dianion, which is located on a centre of inversion. The components of the trimers are linked by N-H⋯O hydrogen bonding. In the cation, the outer rings make dihedral angles of 53.66 (5) and 78.38 (5)° with the central ring. The two outer rings make a dihdral angle of 81.49 (5)°.

Hydrogen bondChemistryGeneral ChemistryCrystal structureDihedral angle010402 general chemistry010403 inorganic & nuclear chemistryCondensed Matter PhysicsRing (chemistry)Organic Papers01 natural sciences3. Good health0104 chemical sciencesCrystallographyGeneral Materials ScienceActa Crystallographica Section E Structure Reports Online
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7-[(3-Chloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acidS,S-dioxide hydrochloride

2012

In the title compound, C(21)H(26)ClN(2)O(4)S(.)Cl, also known as tianeptine hydro-chloride, the seven-membered ring adopts a boat conformation. The dihedral angle between the mean planes of the benzene rings is 44.44 (7)°. There is an intra-molecular hydrogen bond formed via S= O⋯H-N. In the crystal, mol-ecules are connected via pairs of N-H.·O, N-H⋯Cl and O-H⋯Cl hydrogen bonds, forming inversion dimers, which are consolidated by C-H⋯O inter-actions. The dimers are linked by C-H⋯O and C-H⋯Cl inter-actions, forming a two-dimensional network lying parallel to (011).

Hydrogen bondCyclohexane conformationGeneral ChemistryDihedral angleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic PapersMedicinal chemistryChlorideCrystalchemistry.chemical_compoundchemistrymedicineGeneral Materials ScienceBenzenemedicine.drugActa Crystallographica Section E Structure Reports Online
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Ethyl 5-amino-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carboxylate dimethyl sulfoxide hemisolvate

2012

The asymmetric unit of the title compound, C17H13Cl3N4O2·0.5C2H6OS, contains two almost identical molecules and one dimethyl sulfoxide (DMSO-d6) solvent molecule. The pyrazole ring forms dihedral angles of 54.6 (4) and 80.0 (4)° in one molecule, and dihedral angles of 54.2 (4) and 81.2 (4)° in the other molecule, with the directly attached pyridine and trichlorophenyl rings, respectively. The dihedral angles of the pyridine and trichlorophenyl rings are 51.2 (4) and 52.0 (4)°, respectively. The crystal packing is characterized by intra- and intermolecular hydrogen bonds. The crystal is a nonmeroh…

Hydrogen bondDimethyl sulfoxideGeneral ChemistryDihedral anglePyrazoleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic PapersMedicinal chemistrySolventlcsh:Chemistrychemistry.chemical_compoundchemistrylcsh:QD1-999PyridineGeneral Materials ScienceEthyl groupActa Crystallographica Section E
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(Z)-Amino­(2-methyl-3-oxoisoindolin-1-yl­idene)acetonitrile

2009

The asymmetric unit of the title compound, C11H9N3O, contains two independent and nearly identical molecules (A and B). Molecule A can be transformed to B using a rotation of approximately 85° around the [111] direction. Each A molecule is connected to three B molecules via N—H...N and N—H...O hydrogen bonds and vice versa. Centrosymmetrically related molecules of the same residue form π–π interactions with centroid–centroid distances of 4.326 (1) and 3.826 (1) Å for the benzene rings of molecules A and B, respectively.

Hydrogen bondGeneral ChemistryCondensed Matter PhysicsBioinformaticsOrganic Paperslcsh:ChemistryResidue (chemistry)chemistry.chemical_compoundCrystallographylcsh:QD1-999chemistryGeneral Materials ScienceBenzeneAcetonitrileActa Crystallographica Section E: Structure Reports Online
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4-Nitro-phenyl 2-bromo-2-methyl-propano-ate.

2011

In the title compound, C(10)H(10)BrNO(4), the planes of the carboxyl-ate and nitro groups are rotated by 60.53 (13) and 6.4 (3)°, respectively, to the benzene ring. In the crystal, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into zigzag chains parallel to the c axis.

Hydrogen bondGeneral ChemistryCondensed Matter PhysicsBioinformaticsRing (chemistry)Organic PapersCrystalCrystallographychemistry.chemical_compoundchemistryZigzagNitroGeneral Materials ScienceBenzeneActa crystallographica. Section E, Structure reports online
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A second monoclinic polymorph of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hy-droxy-imino-N'-[1-(pyridin-2-yl)ethyl-idene]acetohydrazide.

2013

The title compound, C14H16N6O2, is a second monoclinic polymorph of 2-[1-(3,5-dimeth­yl)pyrazol­yl]-2-hy­droxy­imino-N′-[1-(2-pyrid­yl)ethyl­idene] acetohydrazide, with two crystallographically independent mol­ecules per asymmetric unit. The non-planar mol­ecules are chemically equal having similar geometric parameters. The previously reported polymorph [Plutenko et al. (2012 ▶). Acta Cryst. E68, o3281] was described in space group Cc (Z = 4). The oxime group and the O atom of the amide group are anti with respect to the C—C bond. In the crystal, mol­ecules are connected by N—H⋯N hydrogen bonds into zigzag chains extending along the b axis.

Hydrogen bondGeneral ChemistryCondensed Matter PhysicsOximeBioinformaticsMedicinal chemistryOrganic Paperschemistry.chemical_compoundchemistryGroup (periodic table)AmideGeneral Materials Scienceta116Monoclinic crystal systemActa crystallographica. Section E, Structure reports online
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4-[2-(4-Fluorophenyl)furan-3-yl]pyridine

2009

In the crystal structure of the title compound, C(15)H(10)FNO, the furan ring makes dihedral angles of 40.04 (11) and 25.71 (11)° with the pyridine and 4-fluoro-phenyl rings, respectively. The pyridine ring makes a dihedral angle of 49.51 (10)° with the 4-fluoro-phenyl ring. Non-conventional C-H⋯F and C-H⋯N hydrogen bonds are effective in the stabilization of the crystal structure.

Hydrogen bondGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsBioinformaticsRing (chemistry)Organic Paperschemistry.chemical_compoundCrystallographychemistryFuranPyridineGeneral Materials ScienceActa Crystallographica Section E Structure Reports Online
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5-(4-Fluoro-phen-yl)-4-(4-pyrid-yl)-1,3-oxazol-2-amine.

2010

In the crystal structure of the title compound, C14H10FN3O, the plane of the isoxazole ring makes dihedral angles of 35.72 (9) and 30.00 (9)°, respectively, with those of the 4-fluorophenyl and pyridine rings. The plane of the 4-fluorophenyl ring makes a dihedral angle of 45.85 (8)° with that of the pyridine ring. The crystal structure is stabilized by intermolecular N—H...N hydrogen bonding. The two types of hydrogen bonds result in two chains, extending along the a axis, which are related by centres of symmetry.

Hydrogen bondGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsBioinformaticsRing (chemistry)Organic Paperslcsh:Chemistrychemistry.chemical_compoundCrystallographychemistrylcsh:QD1-999PyridineGeneral Materials ScienceAmine gas treatingIsoxazoleActa crystallographica. Section E, Structure reports online
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N-{4-[3-(4-Fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-2-pyridyl}isopropylamine

2009

In the crystal structure of the title compound, C21H18FN5, the pyridopyrazine ring system forms dihedral angles of 33.27 (7) and 48.69 (9)° with the 4-fluorophenyl and pyridine ring, respectively. The dihedral angle of the 4-fluorophenyl and pyridine rings is 57.45 (8)°. The crystal packing is characterized by an intermolecular N—H...N hydrogen bond.

Hydrogen bondGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic PapersMedicinal chemistrylcsh:ChemistryCrystalchemistry.chemical_compoundlcsh:QD1-999chemistryPyridineGeneral Materials ScienceAmine gas treatingIsopropylActa Crystallographica Section E Structure Reports Online
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4-[2-(4-Fluorophenyl)-1H-pyrrol-3-yl]pyridine

2009

In the crystal structure of the title compound, C(15)H(11)FN(2), the pyrrole ring makes dihedral angles of 33.19 (9) and 36.33 (10)° with the pyridine and 4-fluoro-phenyl rings, respectively. The pyridine ring makes a dihedral angle of 46.59 (9)° with the 4-fluoro-phenyl ring. In the crystal structure, an N-H⋯N hydrogen bond joins the mol-ecules into chains.

Hydrogen bondGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic Paperschemistry.chemical_compoundCrystallographychemistryPyridineGeneral Materials SciencePyrroleActa Crystallographica Section E Structure Reports Online
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