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1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one.

ABSTRACT: In the title pyrazolone derivative, C(15)H(12)N(2)O, the five-membered ring is approximately planar (r.m.s. deviation = 0.018 Å), and the N- and C-bound benzene rings are inclined to this plane [dihedral angles = 21.45 (10) and 6.96 (10)°, respectively] and form a dihedral angle of 20.42 (10)° with each other. Supra-molecular layers are formed in the crystal structure via C-H⋯O and C-H⋯N inter-actions, and these are assembled into double layers by C-H⋯π and π-π inter-actions between the pyrazole and C-bound benzene rings [ring centroid-centroid distance = 3.6476 (12) Å]. The double layers stack along the a axis being connected by π-π inter-actions between the N- and C-bound benzene rings [ring centroid-centroid distance = 3.7718 (12) Å].

SUBMITTER: Baddeley TC

PROVIDER: S-EPMC3343981 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-(1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-yl)-1,3-diphenyl-1H-pyrazole.

Project description:The title compound, C(30)H(24)N(4), contains two pyrazole rings and four phenyl rings. The pyrazole rings are essentially planar, with maximum deviations of 0.003?(1) and 0.066?(1)?Å and make a dihedral angle of 73.43?(6)°. The two pyrazole rings make dihedral angles of 40.08?(6), 9.28?(6), 15.78?(8) and 17.25?(7)° with their attached phenyl rings. In the crystal, there are no significant inter-molecular hydrogen-bonding inter-actions. The crystal structure is stabilized by C-H?? inter-actions.

| S-EPMC3247563 | biostudies-literature

3,5-Diphenyl-1-(quinolin-2-yl)-4,5-dihydro-1H-pyrazol-5-ol.

Project description:In the title compound, C(24)H(19)N(3)O, the pyrazole ring is close to being planar (r.m.s. deviation of the five fitted atoms = 0.062?Å), and each of the N-bound quinoline ring [dihedral angle = 9.90?(7)°] and the C-bound phenyl ring in the 3-position is close to being coplanar [dihedral angle = 8.87?(9)°]. However, the phenyl ring in the 5-position forms a dihedral angle of 72.31?(9)°. The hy-droxy group forms an intra-molecular hydrogen bond to the quinoline N atom. In the crystal, mol-ecules are connected into supra-molecular layers two mol-ecules thick in the bc plane by C-H?O and C-H?? inter-actions.

| S-EPMC3414180 | biostudies-literature

4-[3,4-Dimethyl-1-(4-methyl-phen-yl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]-3,4-dimethyl-1-(4-methyl-phen-yl)-4,5-dihydro-1H-pyrazol-5-one.

Project description:In the title compound, C(24)H(26)N(4)O(2), the complete mol-ecule is generated by the application of twofold symmetry. The pyrazole ring is approximately planar [r.m.s. deviation = 0.026 Å] and the benzene ring is twisted out of this plane [dihedral angle = 21.94 (7)°]. A twist in the mol-ecule about the central C-C bond [1.566 (3) Å] is also evident [C-C-C-C torsion angle = 44.30 (14)°]. Supra-molecular layers in the bc plane are formed in the crystal packing via C-H⋯O and C-H⋯π inter-actions.

| S-EPMC3343962 | biostudies-literature

1-Benzoyl-3,5-diphenyl-4,5-dihydro-1H-pyrazole.

Project description:In the title compound, C(22)H(18)N(2)O, the pyrazole ring is almost planar (r.m.s. deviation = 0.0098?Å) and its mean plane makes dihedral angles of 62.2?(2), 87.2?(2) and 8.0?(2)° with the phenyl and benzoyl rings, respectively. The crystal packing is stabilized by ?-? stacking inter-actions [centroid-centroid distance = 3.658?(2)?Å] and weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3052060 | biostudies-literature

3-Methyl-1,5-diphenyl-4,5-dihydro-1H-pyrazole.

Project description:In the title compound, C16H16N2, the dihydro-pyrazole ring adopts a shallow envelope conformation, with the C atom bearing the phenyl group displaced by 0.298?(2)?Å from the other atoms (r.m.s. deviation = 0.015?Å). The dihedral angles between the four near coplanar atoms of the central ring and the N- and C-bonded phenyl groups are 13.49?(13) and 82.22?(16)°, respectively.

| S-EPMC3629642 | biostudies-literature

2-[5-(1,3-Benzodioxol-5-yl)-3-ferrocenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-phenyl-1,3-thia-zole.

Project description:In the title compound, [Fe(C(5)H(5))(C(24)H(18)N(3)O(2)S)], the pyrazoline ring adopts a twist conformation. The thia-zole ring forms dihedral angles of 83.7?(2) and 34.4?(2)° with the benzene ring of the benzodioxole ring and the fused phenyl ring, respectively. The mol-ecular conformation is stabilized by an intra-molecular C-H?? inter-action. The crystal packing features inter-molecular C-H?N, C-H?O hydrogen bonds and weak C-H?? inter-actions.

| S-EPMC2983240 | biostudies-literature

2-Benzyl-1,3-diphenyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine.

Project description:In the title compound, C(31)H(25)NO, the oxazine ring adopts a half-chair conformation. The dihedral angles between the phenyl rings and the naphthyl ring system are 70.89?(8), 37.34?(10) and 9.42?(10)°. The crystal structure is stabilized by an aromatic ?-? stacking inter-action, with a centroid-centroid distance of 3.879?(3)?Å.

| S-EPMC2977269 | biostudies-literature

8-Bromo-1,3-diphenyl-2,3-dihydro-1H-naphtho-[1,2-e][1,3]oxazine.

Project description:The title compound, C(24)H(18)BrNO, consists of an envelope-configured oxazine ring with a fused 8-bromo-1,3-diphenyl group and two bonded phenyl rings. The dihedral angles between the mean planes of the 8-bromo-1,3-diphenyl and the phenyl rings are 54.5?(6) and 87.4?(8)°, respectively. The oxazine is essentially coplanar with the 8-bromo-1,3-diphenyl [dihedral angle = 9.4?(1)°]. Weak C-H?? inter-actions contribute to the crystal packing.

| S-EPMC3007280 | biostudies-literature

2-Butyl-1,3-diphenyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine.

Project description:In the title compound, C(28)H(27)NO, the oxazine ring adopts a half-chair conformation. The dihedral angles between the phenyl rings and the naphthyl ring system are 15.34?(1) and 76.51?(1)°.

| S-EPMC2959405 | biostudies-literature

3-[4-(2-Chloro-benzyl-idene-amino)-3-methyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1,3-diphenyl-propan-1-one.

Project description:In the title mol-ecule, C(25)H(21)ClN(4)OS, the triazole ring forms dihedral angles of 47.9?(2), 84.5?(2) and 3.9?(2)° with the two phenyl rings and the chloro-phenyl ring, respectively. The chloro-phenyl ring, the triazole ring and the conjugative linker between the two aromatic rings are nearly coplanar with an r.m.s. deviation of 0.0483?(2)?Å and a maximum deviation of 0.0911?(2)?Å.

| S-EPMC3200689 | biostudies-literature

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