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1-(2,4-Dichloro-phen-yl)-5-(2-nitro-anilino)-1H-pyrazole-4-carbonitrile.

ABSTRACT: In the title compound, C(16)H(9)Cl(2)N(5)O(2), the folded mol-ecular conformation is characterized by a dihedral angle between the two benzene rings of 74.03?(5)°. An intra-molecular N-H?O hydrogen bond is observed between the H atom of the amide group and a nitro-group O atom. Inter-molecular C-H?O and N-H?N hydrogen bonds feature in the crystal packing.

SUBMITTER: Liu J

PROVIDER: S-EPMC3344087 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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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

4-(2,4-Dichloro-phen-yl)-6-(1H-indol-3-yl)-2,2'-bipyridine-5-carbonitrile.

Project description:The title compound, C(25)H(14)Cl(2)N(4), crystallizes with two independent mol-ecules in the asymmetric unit. The two pyridine rings are almost coplanar, making dihedral angles of 3.2 (1) and 8.6 (1)° in the two independent mol-ecules. The dichloro-phenyl and indole rings are twisted away from the bipyridine ring by 64.32 (5) and 18.46 (4)°, respectively in the first molecule and by 51.0 (1) and 27.99 (5)°, respectively in the second molecule. The crystal packing is stabilized by C-H⋯N, C-H⋯Cl, N-H⋯N and C-H⋯π inter-actions.

| S-EPMC2977688 | biostudies-literature

5-(4-Chloro-phen-yl)-1-(2,4-dichloro-phen-yl)-4-methyl-1H-pyrazole-3-carboxylic acid.

Project description:The asymmetric unit of the title compound, C(17)H(11)Cl(3)N(2)O(2), contains two independent mol-ecules; the pyrazole rings are oriented with respect to the chloro-phenyl and dichloro-phenyl rings at dihedral angles of 43.00 (3) and 65.06 (4)°, respectively, in one mol-ecule, and 51.17 (3) and 69.99 (3)°, respectively, in the other. Pairs of inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into dimers. In the crystal structure, there are π-π contacts between the pyrazole rings and dichloro-phenyl rings [centroid-centroid distances = 3.859 (3) and 3.835 (3) Å].

| S-EPMC2960141 | biostudies-literature

5-(4-Chloro-phen-yl)-1-(2,4-dichloro-phen-yl)-4-methyl-N-(3-pyridylmeth-yl)-1H-pyrazole-3-carboxamide.

Project description:In the title compound, C(23)H(17)Cl(3)N(4)O, the benzene rings are oriented with respect to the pyrazole ring at dihedral angles of 39.9 (2) and 72.90 (13)° for the chloro-phenyl and di-chloro-phenyl rings, respectively. Inter-molecular C-H⋯N and C-H⋯Cl inter-actions are observed in the crystal packing.

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5-(2,4-Dichloro-phen-yl)-3-(4-nitro-phen-yl)-1,2,4-oxadiazole.

Project description:In the title compound, C(14)H(7)Cl(2)N(3)O(3), the dichloro-phenyl and nitro-phenyl rings form dihedral angles of 5.4?(2) and 4.0?(2)°, respectively, with the oxadiazole ring. The nitro group is twisted out of the attached benzene ring by a dihedral angle of 10.4?(3)°. In the crystal, mol-ecules are linked into a chain along the a axis by C-H?N hydrogen bonds.

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5-Amino-3-anilino-1H-pyrazole-4-carbonitrile.

Project description:In the title compound, C(10)H(9)N(5), the phenyl ring is twisted with respect to the pyrazole ring, forming a dihedral angle of 24.00 (6)°. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds into chains running parallel to [010] containing alternating R(2) (2)(6) and R(2) (2)(12) rings. Further inter-actions are found in the crystal, viz. N-H⋯π(phen-yl) inter-actions and weak face-to-face π-π stacking inter-actions [centroid-centroid distance = 3.8890 (6) Å] between the centroids of the pyrazole and phenyl rings are observed.

| S-EPMC3435815 | biostudies-literature

5-(2,4-Dichloro-phen-oxy)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde.

Project description:In the title mol-ecule, C(12)H(10)Cl(2)N(2)O(2), the benzene and pyrazole rings form a dihedral angle of 72.8 (3)°. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into chains along [01[Formula: see text]].

| S-EPMC3238861 | biostudies-literature

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

Project description: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.

| S-EPMC3343982 | biostudies-literature

4-Bromo-1-[2,6-dichloro-4-(trifluoro-meth-yl)phen-yl]-5-(4-nitro-benzyl-idene-amino)-1H-pyrazole-3-carbonitrile.

Project description:The title compound, C(18)H(7)BrCl(2)F(3)N(5)O(2), is an L-shaped tricyclic imine. The pyrazole ring is essentially coplanar with the nitro-substituted benzene ring [dihedral angle = 3.6?(2)°] and approximately perpendicular to the trifluoro-methyl-substituted ring [dihedral angle = 88.5?(2)°].

| S-EPMC2960878 | biostudies-other

(2E)-1-(2,4-Dichloro-phen-yl)-3-[3-(4-nitro-phen-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one.

Project description:In the title compound, C(24)H(15)Cl(2)N(3)O(3), the C=C double bond is E configured. The 1-phenyl-1H-pyrazole moiety is roughly planar (r.m.s. deviation of all fitted non-H atoms = 0.0780?Å), but the mean planes of the two components are inclined at an angle of 9.95?(7)°. The mean plane defined by the non-H atoms of the 1H-pyrazole ring encloses angles of 9.95?(7), 24.54?(6) and 43.02?(6)° with the mean planes of the different benzene rings. In the crystal, C-H?O contacts are present and result in the formation of a double-layer two-dimensional network lying parallel to (110). The shortest inter-centroid distance between two aromatic systems is 3.5455?(7)?Å and is apparent between two pyrazole systems. Further ?-? inter-actions are manifest between a pair of 4-nitro-phenyl rings [centroid-to-centroid distance = 3.6443?(7)?Å] and a pair of 2,4-dichloro-phenyl rings [centroid-to-centroid distance = 3.7797?(7)?Å].

| S-EPMC3295416 | biostudies-literature

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