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3,5-Dimethyl-1-(4-nitro-phen-yl)-1H-pyrazole.

ABSTRACT: In the title pyrazole derivative, C(11)H(11)N(3)O(2), the benzene ring is twisted [dihedral angle = 31.38 (12)°] with respect to the pyrazole ring (r.m.s. deviation = 0.009 Å). The nitro group is effectively coplanar with the benzene ring to which it is attached [O-N-C-C torsion angle = -6.5 (3)°]. Supra-molecular chains along the b axis are formed owing to π-π inter-actions [3.8653 (2) Å] between translationally related mol-ecules involving both the five- and six-membered rings.

SUBMITTER: Tiekink ER

PROVIDER: S-EPMC3343982 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3,5-Bis(4-fluoro-phen-yl)-1-(4-nitro-phen-yl)-4,5-dihydro-1H-pyrazole.

Project description:In the title compound, C(21)H(15)F(2)N(3)O(2), a pyrazole derivative bearing three aromatic substituents, the central five-membered heterocyclic ring makes dihedral angles of 1.77?(14), 3.68?(13) and 72.15?(14)° with the three benzene rings. In the crystal, C-H?O and C-H?F inter-actions connect the mol-ecules into double layers parallel to the bc plane.

| S-EPMC3515302 | biostudies-literature

Dichlorido(3,5-dimethyl-1H-pyrazole)[(3,5-dimethyl-1H-pyrazol-1-yl)(o-tol-yl)methanone]palladium(II).

Project description:In the title compound, [PdCl(2)(C(5)H(8)N(2))(C(12)H(12)N(2)O)], the Pd atom adopts a slightly distorted trans-PdCl(2)N(2) square-planar arrangement. The different Pd-N bond lengths can be related to the the electron-withdrawing effect of the o-toluoyl group on the substituted pyrazole ligand. The complex crystallizes as centrosymmetric hydrogen-bonded dimers through N-H?Cl linkages.

| S-EPMC2915136 | biostudies-literature

{2-[(3,5-Dimethyl-2H-pyrrol-2-yl-idene-?N)(4-nitro-phen-yl)meth-yl]-3,5-dimethyl-1H-pyrrol-1-ido-?N}difluoridoboron.

Project description:In an effort to discover novel and potential boron-dipyrromethene (BODIPY) dyes, the title compound, C(19)H(18)BF(2)N(3)O(2), was prepared from 2,4-dimethyl-pyrrole, 4-nitro-benzaldehyde and BF(3)·Et(2)O in a one-pot reaction. There are two independent mol-ecules, A and B, in the asymmetric unit in which the dihedral angles between the benzene ring and boron-dipyrromethene mean plane have significantly different values [82.71?(8)° for mol-ecule A and 73.16?(8)° for mol-ecule B]. Inter-molecular C-H?? inter-actions help to stabilize the crystal structure.

| S-EPMC3254419 | biostudies-literature

3,5-Dimethyl-4-nitroso-1H-pyrazole.

Project description:In the unit cell of the title compound, C(5)H(7)N(3)O, there are two conformers (A and B) which differ in the position of the oxime group with respect to the protonated pyrazole nitro-gen (trans in the A conformer and cis in the B conformer) and in the geometric parameters. The oxime group exists in the nitroso form in both conformers. In the crystal, mol-ecules are linked by inter-molecular N-H?O and N-H?N hydrogen bonds into zigzag-like chains along the b axis.

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3,5-Bis(2,4-dinitro-phen-yl)-4-nitro-1H-pyrazole acetone monosolvate.

Project description:The title structure, C(15)H(7)N(7)O(10)·C(3)H(6)O, was prepared by penta-nitration of 3,5-diphenyl-1H-pyrazole. The proton attached to a pyrazole N atom forms a hydrogen bond with the O atom of the acetone solvent mol-ecule, owing to the NO(2) enhanced acidity of the proton. The NO(2) group on the phenyl C atom is twisted by 33.9?(2)° from coplanarity with the ring in order to avoid a short intra-molecular O?O contact with an O atom of an adjacent pyrazole-bonded NO(2) group.

| S-EPMC3275082 | biostudies-other

Dimethyl 2,6-dimethyl-4-(2-nitro-phen-yl)pyridine-3,5-dicarboxyl-ate.

Project description:The title compound, C(17)H(16)N(2)O(6), is a decomposition product of the hypertension drug nifedipine [systematic name: dimethyl 2,6-dimethyl-4-(2-nitro-phen-yl)-1,4-dihydro-pyridine-3,5-dicarboxyl-ate]. The dihedral angle between the nitro-sophenyl ring and the pyridine ring is 67.1?(5)°.

| S-EPMC3247561 | biostudies-literature

1-[3-(4-Chloro-phen-yl)isoquinolin-1-yl]-3,5-diphenyl-1H-pyrazole.

Project description:The title compound, C(30)H(20)ClN(3), is composed of a diaryl-substituted pyrazole ring connected to an aryl-substituted isoquinoline ring system with a dihedral angle of 65.1?(1)° between the pyrazole ring and the isoquinoline ring system. The 3-phenyl and 4-phenyl substitutents are twisted by 8.1?(1) and 43.0?(1)°, respectively, with respect to the pyrazole ring. The chloro-phenyl ring and the isoquinoline ring system are twisted by 21.2?(1)° with respect to each other.

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5-Amino-1-(4-nitro-phen-yl)-1H-pyrazole-3-carbonitrile.

Project description:The title compound, C(10)H(7)N(5)O(2), was synthesized by the reaction of 4-nitro-aniline and 2,3-dicyano-propionic acid ethyl ester. In the crystal, N-H?O and C-H?O hydrogen bonds link the mol-ecules, forming a three-dimensional network.

| S-EPMC3254421 | biostudies-literature

1-(3,5-Dimethyl-phen-yl)-4,5-dimethyl-2-phenyl-1H-imidazole hemihydrate.

Project description:In the title compound, C(19)H(20)N(2)·0.5H(2)O, the imidazole ring is essentially planar [maximum deviation = 0.005?(1)?Å]. The imidazole ring makes dihedral angles of 67.46?(10) and 23.10?(11)° with the attached benzene and phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings is 68.22?(10)°. Inter-molecular O-H?N and C-H?N hydrogen bonds are found in the crystal structure.

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Crystal structure of 1-(2,4-di-nitro-phen-yl)-3,5-diphenyl-1H-pyrazole.

Project description:In the title mol-ecule, C21H14N4O4, the phenyl rings make dihedral angles of 39.61?(8) and 9.4?(1)°, respectively, with the central pyrazole ring. The dihedral angle between the pyrazole and di-nitro-phenyl rings is 46.95?(5)°. In the crystal, mol-ecules pack in helical stacks parallel to the a axis aided by weak C-H?O inter-actions.

| S-EPMC4719887 | biostudies-other

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