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

ABSTRACT: In the title compound, C(20)H(18)BrN(3)O(2), the central carbonyl group forms amine-N-H?O and hy-droxy-O-H?O hydrogen bonds, which lead to two fused S(6) rings. The N-bound phenyl ring is coplanar with the five-membered ring to which it is attached [dihedral angle = 5.22?(18)°], but the dihedral angle [33.87?(17)°] between the terminal phenyl and bromo-benzene rings indicates an overall twist in the mol-ecule. In the crystal packing, mol-ecules assemble into dimeric aggregates via C-H?? inter-actions.

SUBMITTER: Asiri AM

PROVIDER: S-EPMC3297875 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other

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(2Z)-3-(3-Bromo-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 20120224 Pt 3

In the title compound, C(20)H(18)BrN(3)O(2), the central carbonyl group forms amine-N-H⋯O and hy-droxy-O-H⋯O hydrogen bonds, which lead to two fused S(6) rings. The N-bound phenyl ring is coplanar with the five-membered ring to which it is attached [dihedral angle = 5.22 (18)°], but the dihedral angle [33.87 (17)°] between the terminal phenyl and bromo-benzene rings indicates an overall twist in the mol-ecule. In the crystal packing, mol-ecules assemble into dimeric aggregates via C-H⋯π inter-ac ...[more]

PMID: 22412678

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