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(2Z)-3-(4-Fluoro-anilino)-1-(5-hy-droxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)but-2-en-1-one.

ABSTRACT: The central carbonyl group in the title compound, C(20)H(18)FN(3)O(2), forms amine-hy-droxy N-H?O and hy-droxy-hy-droxy O-H?O hydrogen bonds, leading to two S(6) rings. The N-bound phenyl ring is coplanar with the five-membered ring to which it is attached [dihedral angle = 6.27?(10)°], but an overall twist in the mol-ecule is evident, the dihedral angle between the terminal phenyl and benzene rings being 27.30?(10)°. Mol-ecules aggregate into a three-dimensional architecture via C-H?F, C-H?O and C-H?? inter-actions.

SUBMITTER: Asiri AM

PROVIDER: S-EPMC3295528 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

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(2Z)-3-(4-Fluoro-anilino)-1-(5-hy-droxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)but-2-en-1-one.

Asiri Abdullah M AM Faidallah Hassan M HM Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20120217 Pt 3

The central carbonyl group in the title compound, C(20)H(18)FN(3)O(2), forms amine-hy-droxy N-H⋯O and hy-droxy-hy-droxy O-H⋯O hydrogen bonds, leading to two S(6) rings. The N-bound phenyl ring is coplanar with the five-membered ring to which it is attached [dihedral angle = 6.27 (10)°], but an overall twist in the mol-ecule is evident, the dihedral angle between the terminal phenyl and benzene rings being 27.30 (10)°. Mol-ecules aggregate into a three-dimensional architecture via C-H⋯F, C-H⋯O an ...[more]

PMID: 22412639

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