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2-[5-(4-Hydroxy-phen-yl)-1-phenyl-1H-pyrazol-3-yl]phenol.

ABSTRACT: The title compound, C(21)H(16)N(2)O(2), was derived from 1-(2-hydroxy-phen-yl)-3-(4-methoxy-phen-yl)propane-1,3-dione. The pyrazole ring and one of the hydr-oxy-substituted benzene rings are approximately coplanar, forming a dihedral angle of 7.5?(3)°. The relative conformation of these rings may be influenced by an intra-molecular O-H?N hydrogen bond. In the crystal structure, inter-molecular O-H?O hydrogen bonds involving different hydr-oxy groups of symmetry-related mol-ecules form extended chains along [201].

SUBMITTER: Badshah A

PROVIDER: S-EPMC2961782 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

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2-[5-(4-Hydroxy-phen-yl)-1-phenyl-1H-pyrazol-3-yl]phenol.

Badshah Amir A Hasan Aurangzeb A Barbarín Cecilia R CR Zia Mehwash M

Acta crystallographica. Section E, Structure reports online 20080613 Pt 7

The title compound, C(21)H(16)N(2)O(2), was derived from 1-(2-hydroxy-phen-yl)-3-(4-methoxy-phen-yl)propane-1,3-dione. The pyrazole ring and one of the hydr-oxy-substituted benzene rings are approximately coplanar, forming a dihedral angle of 7.5 (3)°. The relative conformation of these rings may be influenced by an intra-molecular O-H⋯N hydrogen bond. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds involving different hydr-oxy groups of symmetry-related mol-ecules form extended c ...[more]

PMID: 21202898

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2-{5-[2-(4-Nitro-phen-oxy)phen-yl]-1-phenyl-1H-pyrazol-3-yl}phenol.

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1-(4-Chloro-phen-yl)-3-phenyl-1H-pyrazol-5(4H)-one.

Project description:In the crystal of the title compound, C(15)H(11)ClN(2)O, the molecules are linked by C-H⋯O and weak C-H⋯π inter-actions. The chloro-phenyl and phenyl rings are twisted with respect to the central pyrazolone ring, making dihedral angles of 18.23 (8) and 8.35 (8)°, respectively. The N-N and C=O bond lengths are comparable to those reported for pyrazolone compounds.

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3-(2-Hydroxy-phen-yl)-5-(2-methoxy-phenyl)-1H-pyrazole.

Project description:The title compound, C(16)H(14)N(2)O(2), was derived from 1-(2-hydroxy-phen-yl)-3-(2-methoxy-phen-yl)propane-1,3-dione. The mol-ecule is essentially planar (r.m.s. deviation for all non-H atoms = 0.089?Å). Two intra-molecular hydrogen bonds stabilize the mol-ecular conformation and one N-H?O hydrogen bond stabilizes the crystal structure.

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1-(4-Methyl-phen-yl)-3-phenyl-1H-pyrazol-5-yl 4-nitro-benzene-sulfonate.

Project description:In the title mol-ecule, C(22)H(17)N(3)O(5)S, the pyrazole ring is planar (r.m.s. deviation = 0.018?Å) and forms dihedral angles of 21.45?(10) and 6.96?(10)° with the N- and C-bound benzene rings, respectively. Supra-molecular layers in the bc plane are formed in the crystal via C-H?O and ?-? inter-actions involving the sulfonamide benzene ring inter-acting with the N- and C-bound benzene rings [centroid-centroid distances = 3.790?(2) and 3.730?(2)?Å, respectively]. The crystal studied was found to be a merohedral twin (twin law 1 0 0.678, 0 -1 0, 0 0 -1), the fractional contribution of the minor component being approximately 36%.

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