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Crystal structure of N'-di-phenyl-methyl-idene-5-methyl-1H-pyrazole-3-carbo-hydrazide.

ABSTRACT: In the title compound, C18H16N4O, the planes of the phenyl rings are approximately perpendicular to each other [dihedral angle = 78.07 (8)°] and form dihedral angles of 56.43 (8) and 24.59 (8)° with the pyrazole ring. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds to form one-dimensional chains parallel to the [010] direction.

SUBMITTER: Karrouchi K

PROVIDER: S-EPMC4645091 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of (E)-4-{[2-(2,4-di-nitro-phen-yl)hydrazin-1-yl-idene]meth-yl}-3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole.

Project description:The title compound, C21H17N7O4, is in an 'extended' conformation aided by an intra-molecular N-H?O hydrogen bond. The pyrazole ring makes dihedral angles of 29.17?(6), 65.47?(4) and 9.91?(7)°, respectively, with the phenyl, pyrrole and benzene rings. In the crystal, mol-ecules are connected by pairs of N-H?O and C-H?O hydrogen bonds, forming inversion dimers which associate into ribbons running along the b axis through complementary C-H?O inter-actions.

| S-EPMC4257438 | biostudies-literature

Crystal structure of 3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbaldehyde.

Project description:In the title compound, C15H13N3O, the pyrrolyl and phenyl rings make dihedral angles of 58.99 (5) and 34.95 (5)°, respectively, with the central pyrazole ring. In the crystal, weak, pairwise C-H⋯O inter-actions across centers of symmetry form dimers, which are further associated into corrugated sheets running approximately parallel to (100) via weak C-H⋯N inter-actions.

| S-EPMC4257204 | biostudies-literature

Crystal structure of (E)-N'-(3,4-di-fluoro-benzyl-idene)-4-methyl-benzene-sulfono-hydrazide.

Project description:In the title compound, C14H12F2N2O2S, the dihedral angle between the aromatic rings is 70.23?(8)° and the S-N-N=C torsion angle is 172.11?(11)°. In the crystal, N-H?O hydrogen bonds link the mol-ecules into [100] C(4) chains, with adjacent mol-ecules in the chain related by translational symmetry. The chains are linked by weak C-H?F and C-H?O inter-actions, thereby forming a three-dimensional network.

| S-EPMC4647373 | biostudies-literature

2-(Di-phenyl-methyl-idene)-2,3-di-hydro-1H-inden-1-one.

Project description:In the title mol-ecule, C22H16O, the indanone ring system is approximately planar with a dihedral angle between the fused rings of 5.13?(14)°. Two benzene rings are linked together at one side of a double bond, sitting on either side of the indanone ring system and making dihedral angles of 70.30?(12) and 44.74?(13)° with it. In the crystal, hydrogen bonding is not present, but weak C-H?? or ?-? inter-actions occur and mol-ecules form a sheet-like structure in the bc plane.

| S-EPMC3793795 | biostudies-literature

Crystal structure of 3-(4-methyl-phen-yl)-1-phenyl-5-[(E)-2-phenyl-ethen-yl]-1H-pyrazole.

Project description:In the title compound, C24H20N2, the dihedral angles between the pyrazole ring and the pendant phenyl, toluoyl and phenyl-ethenyl rings are 41.50 (8), 4.41 (8) and 31.07 (8)°, respectively. In the crystal, inversion dimers linked by a π-π stacking inter-actions between the phenyl-ethenyl rings are observed [centroid-centroid separation = 3.5857 (9) Å].

| S-EPMC4719956 | biostudies-literature

Crystal structure of 3-(thio-phen-2-yl)-5-p-tolyl-4,5-di-hydro-1H-pyrazole-1-carbo-thio-amide.

Project description:In the title compound, C15H15N3S2, the central pyrazole ring adopts a twisted conformation on the -CH-CH2- bond. Its mean plane makes dihedral angles of 7.19 (12) and 71.13 (11)° with those of the thio-phene and toluene rings, respectively. The carbothi-amide group [C(=S)-N] is inclined to the pyrazole ring mean plane by 16.8 (2)°. In the crystal, mol-ecules are linked by N-H⋯S hydrogen bonds, forming chains propagating along [010]. Within the chains, there are N-H⋯π inter-actions present. Between the chains there are weak parallel slipped π-π inter-actions involving inversion-related thio-phene and pyrazole rings [inter-centroid distance = 3.7516 (14) Å; inter-planar distance = 3.5987 (10) Å; slippage = 1.06 Å].

| S-EPMC4518985 | biostudies-literature

Crystal structure of 3-methyl-5-tri-methyl-silyl-1H-pyrazole.

Project description:The title compound, C7H14N2Si, crystallizes in a tetra-gonal space group and exists as an N-H?N hydrogen-bonded tetra-mer, formed around the crystallographic fourfold rotoinversion axis. The mol-ecular identity is clearly the 5-tri-methyl-silyl-3-methyl-1H-pyrazole tautomer and the structure is isomorphous with that of 5-tert-butyl-3-methyl-1H-pyrazole [Foces-Foces & Trofimenko (2001 ?). Acta Cryst. E57, o32-o34].

| S-EPMC4459369 | biostudies-literature

Crystal structure of 5-[4-(di-methyl-amino)-phen-yl]-3-(4-methyl-phen-yl)-4,5-di-hydro-1H-pyrazole-1-carbaldehyde.

Project description:The title compound, C19H21N3O, comprises a central pyrazole ring which is N-connected to an aldehyde group and C-connected twice to substituted benzene rings. The pyrazole ring is twisted on the C-C single bond, and the least-squares plane through this ring forms dihedral angles of 82.44 (5) and 4.52 (5)° with the (di-methyl-amino)-benzene and p-tolyl rings, respectively. In the crystal, weak C-H⋯O hydrogen bonds link mol-ecules into supra-molecular tubes along the b axis.

| S-EPMC4719963 | biostudies-literature

Crystal structure of 3-methyl-1-phenyl-6-propyl-amino-1H-pyrazolo[3,4-b]pyridine-5-carbo-nitrile.

Project description:In the title compound, C17H17N5, the dihedral angle between the 1H-pyrazolo-[3,4-b]pyridine ring system (r.m.s. deviation = 0.001?Å) and the attached phenyl group is 2.56?(6)°. The propyl-amino side chain has a contorted conformation [Car-N-C-C = -77.97?(16)° and N-C-C-C = -57.37?(17)°]. An intra-molecular C-H?N inter-action closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H?N hydrogen bonds generate R 2 (2)(12) loops. Aromatic ?-? stacking inter-actions [centroid-centroid distance = 3.5726?(8)?Å] are also observed.

| S-EPMC4647426 | biostudies-literature

Crystal structure of N'-[(E)-3,5-di-chloro-2-hy-droxy-benzyl-idene]-4-nitro-benzo-hydrazide di-methyl-formamide monosolvate.

Project description:In the title compound, C14H9Cl2N3O4·C3H7NO, the hydrazone mol-ecule adopts an E conformation with respect to azomethine bond, and the dihedral angle between the two aromatic rings [8.96?(11)°] shows that the rings are almost co-planar. The planar conformation of the mol-ecule is stabilized by the intra-molecular O-H?N hydrogen bond involving the OH group and azomethine N atom. The azomethine and keto bond distances [1.269?(2) and 1.210?(2)?Å, respectively] are very close to the formal C=N and C=O bond lengths. The di-methyl-formamide solvent mol-ecule is connected to the hydrazone NH group via an N-H?O hydrogen bond. In the crystal, non-classical C-H?O and C-H?Cl hydrogen bonds link the mol-ecules into chains along [322]. A supra-molecular three-dimensional architecture is created by weak C-Cl?? [4.163?(3)?Å, 83.26?(9)°] and ?-? [centroid-centroid distance = 4.0395?(14)?Å] inter-actions.

| S-EPMC4645068 | biostudies-literature

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