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1-[5-(4-Chloro-phen-yl)-3-(4-hy-droxy-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]-ethanone.

ABSTRACT: In the title compound, C(17)H(15)ClN(2)O(2), the benzene rings form dihedral angles of 89.56?(5) and 5.87?(5)° with the mean plane of the pyrazoline ring (r.m.s. deviation = 0.084?Å). The dihedral angle between the two benzene rings is 87.57?(5)°. In the crystal, mol-ecules are linked by O-H?O and C-H?O hydrogen bonds into a helical chain along the c axis. Between the chains weak C-H?N and C-H?O inter-actions are present. The crystal studied was an inversion twin with a domain ratio of 0.72?(4):0.28?(4).

SUBMITTER: Fun HK

PROVIDER: S-EPMC3297879 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

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1-[5-(4-Chloro-phen-yl)-3-(4-hy-droxy-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]-ethanone.

Fun Hoong-Kun HK Quah Ching Kheng CK Priya S S Narayana B B Sarojini B K BK

Acta crystallographica. Section E, Structure reports online 20120224 Pt 3

In the title compound, C(17)H(15)ClN(2)O(2), the benzene rings form dihedral angles of 89.56 (5) and 5.87 (5)° with the mean plane of the pyrazoline ring (r.m.s. deviation = 0.084 Å). The dihedral angle between the two benzene rings is 87.57 (5)°. In the crystal, mol-ecules are linked by O-H⋯O and C-H⋯O hydrogen bonds into a helical chain along the c axis. Between the chains weak C-H⋯N and C-H⋯O inter-actions are present. The crystal studied was an inversion twin with a domain ratio of 0.72 (4): ...[more]

PMID: 22412682

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