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3,5-Bis(4-methyl-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.

ABSTRACT: In the title compound, C(23)H(22)N(2), the dihedral angle between the methyl-benzene groups is 77.62 (6)°, and the dihedral angle between the envelope-shaped pyrazole ring [in which one C atom displaced by 0.109 (1) Å from the mean plane of the other four atoms] and the phenyl ring is 17.57 (7)°. The dihedral angles between the phenyl ring and the two methyl-benzene rings are 13.24 (6) and 81.02 (7)°. In the crystal, weak C-H⋯π inter-actions link the mol-ecules.

SUBMITTER: Butcher RJ

PROVIDER: S-EPMC3099927 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description:In the title compound, C(21)H(16)F(2)N(2), the dihedral angle between the fluoro-phenyl groups is 66.34?(8)°, and the dihedral angle between the envelope-configured pyrazole group (N/N/C/C/C) and the benzene ring is 11.50?(9)°. The dihedral angles between the benzene and the two fluoro-substituted phenyl groups are 77.7?(6) and 16.7?(5)°. Weak C-H?? interactions contribute to the stability of the crystal structure.

| S-EPMC3007318 | biostudies-literature

3,5-Bis(4-meth-oxy-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.

Project description:In the title compound, C(23)H(22)N(2)O(2), the central pyrazole ring is nearly planar (r.m.s. deviation = 0.046 Å) and it makes a dihedral angle of 18.5 (2)° with the phenyl ring. The dihedral angles between the phenyl and the two meth-oxy-substituted phenyl rings are 26.2 (2) and 80.6 (2)°. The crystal structure is stabilized by C-H⋯π stacking inter-actions and weak π-π inter-actions [centriod-centroid distance = 3.891 (2) Å].

| S-EPMC3051598 | biostudies-literature

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

Project description:In the title mol-ecule, C(16)H(12)F(2)N(2)O, the pyrazole ring adopts a slight envelope conformation with the methyl-ene C atom deviating by 0.114?(3)?Å from the mean plane of the other four atoms [maximum deviation = 0.021?(3)?Å]. The dihedral angles between the four essentially planar atoms of the pyrazole ring and the fluoro-substituted benzene rings are 2.6?(2) and 82.2?(2)°. The dihedral angle between the two benzene rings is 83.7?(2)°. The crystal packing is stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3120319 | biostudies-literature

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

3,5-Bis(4-bromo-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.

Project description:In the title compound, C(21)H(16)Br(2)N(2), the central pyrazole ring adopts an flattened envelope conformation, with the stereogenic C atom in the flap position. The deviations from planarity for this ring are relatively minor (r.m.s. deviation = 0.045?Å) and the dihedral angles formed with the N- and C(imine)-bound benzene rings are 7.73?(13) and 11.00?(13)°, respectively. By contrast, the benzene ring bound at the chiral C atom is almost orthogonal to the rest of the mol-ecule; the dihedral angle formed between this ring and the pyrazole ring is 79.53?(13)°. In the crystal, the packing is stabilized by C-H?N and C-H?Br inter-actions.

| S-EPMC2979444 | biostudies-other

1-(4-Methyl-phenyl-sulfon-yl)-5-phenyl-4,5-dihydro-1H-pyrazole.

Project description:The title compound, C(16)H(16)N(2)O(2)S, was synthesized by the reaction of 5-phenyl-4,5-dihydro-1H-pyrazole and 4-methyl-benzene-1-sulfonyl chloride. The five-membered pyrazoline ring is nearly planar, with a miximum deviation of 0.078?(2)?Å.

| S-EPMC3212292 | biostudies-literature

5-(4-Bromo-phen-yl)-3-(4-fluoro-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.

Project description:In the title compound, C(21)H(16)BrFN(2), the fluoro-substituted benzene ring is disordered over two orientations about the C-F bond and the C-C bond between the benzene and pyrazole groups with a site-occupancy ratio of 0.516?(8):0.484?(8). The central pyrazole ring [maximum deviation = 0.035?(3)?Å] makes dihedral angles of 22.4?(2), 11.0?(2), 77.19?(16) and 7.44?(17)° with the two disorder components of the benzene ring, the bromo-substituted benzene ring and the phenyl ring, respectively. In the crystal, mol-ecules are linked into a layer parallel to the bc plane through C-H?? inter-actions.

| S-EPMC3435702 | biostudies-literature

5-(Anthracen-9-yl)-3-(4-nitro-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.

Project description:In the title compound, C(29)H(21)N(3)O(2), the five-membered pyrazoline ring is nearly planar, the maximum deviation being 0.037 (3) Å. The anthracene ring system is approximately perpendicular to the central pyrazoline ring, making a dihedral angle of 86.55 (16)°, whereas the two attached benzene rings are oriented at smaller dihedral angles of 12.9 (2) and 14.7 (2)°with respect to the pyrazoline ring. An intra-molecular C-H⋯N hydrogen bond is observed.

| S-EPMC3009137 | biostudies-literature

1-[3,5-Bis(4-chloro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.

Project description:In the title compound, C(17)H(14)Cl(2)N(2)O, the dihedral angles between the pyrazole ring and the mean planes of the benzene and chloro-substituted benzene rings are 75.97?(1) and 16.63?(1)° respectively. In the crystal, two weak C-H?O inter-molecular hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distances = 3.774?(4) and 3.716?(7)?Å] are observed.

| S-EPMC3007262 | biostudies-literature

1-[3,5-Bis(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.

Project description:In the asymmetric unit of the title compound, C(17)H(14)F(2)N(2)O, there are three independent mol-ecules (A, B and C) which differ slightly in the relative orientations of the two fluoro-phenyl rings. In mol-ecules A and C one of the fluoro-phenyl rings is disordered over two positions, with occupancy ratios of 0.72 (2):0.28 (2) for mol-ecule A and 0.67 (2):0.33 (2) for mol-ecule C. The dihedral angle between the two fluoro-phenyl rings in the independent mol-ecules lie in the range 70.3 (3)-84.0 (3)°. In the crystal structure, the mol-ecules are linked via inter-molecular C-H⋯O and C-H⋯F hydrogen bonds and π⋯π stacking inter-actions [centroid-centroid distance = 3.7508 (13) Å], forming a three-dimensional network.

| S-EPMC2983722 | biostudies-literature

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