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Crystal structure of 4-[(2,4-di-chloro-phen-yl)(5-hy-droxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)meth-yl]-5-methyl-2-phenyl-2,3-di-hydro-1H-pyrazol-3-one.

ABSTRACT: In the title compound C27H22Cl2N4O2, the pyrazol-5-ol ring makes a dihedral angle of 34.80?(11)° with the phenyl ring to which it is bound, while the pyrazolone ring is inclined at 34.34?(12)° to its attached phenyl ring. In the crystal, N-H?O and C-H?Cl hydrogen bonds link the mol-ecules into chains along [010]. Inter-molecular ?-? inter-actions are observed between the pyrazolone ring and the phenyl ring bound to the pyrazol-5-ol ring system [centroid-centroid separation = 3.916?(2)?Å].

SUBMITTER: Kumar B

PROVIDER: S-EPMC4647350 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of 4-[(2,4-di-chloro-phen-yl)(5-hy-droxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)meth-yl]-5-methyl-2-phenyl-2,3-di-hydro-1H-pyrazol-3-one.

Kumar Balbir B Mahajan Hitesh H Paul Satya S Kant Rajni R Gupta Vivek K VK

Acta crystallographica. Section E, Crystallographic communications 20150930 Pt 10

In the title compound C27H22Cl2N4O2, the pyrazol-5-ol ring makes a dihedral angle of 34.80 (11)° with the phenyl ring to which it is bound, while the pyrazolone ring is inclined at 34.34 (12)° to its attached phenyl ring. In the crystal, N-H⋯O and C-H⋯Cl hydrogen bonds link the mol-ecules into chains along [010]. Inter-molecular π-π inter-actions are observed between the pyrazolone ring and the phenyl ring bound to the pyrazol-5-ol ring system [centroid-centroid separation = 3.916 (2) Å]. ...[more]

PMID: 26594489

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