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4-{(4Z)-4-[(2Z)-3-(4-Fluoro-anilino)-1-hy-droxy-but-2-en-1-yl-idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-benzene-sulfonamide.

ABSTRACT: In the title compound, C(20)H(19)FN(4)O(4)S, the pyrazole and benzene-sulfonamide rings are coplanar [dihedral angle = 5.02?(15)°] but this planarity does not extend over the entire mol-ecule, the dihedral angle between the terminal six-membered rings being 33.24?(14)°. Intra-molecular hy-droxy-hy-droxy O-H?O and amine-hy-droxy N-H?O hydrogen bonds, as a well as a tight C-H?O(carbon-yl) inter-action, lead to a sequence of three fused S(6) rings. Supra-molecular chains along the a axis feature in the crystal packing; these chains are stabilized by amine-sulfonamide N-H?O and amine-pyrazole N-H?N hydrogen bonds.

SUBMITTER: Asiri AM

PROVIDER: S-EPMC3295527 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other

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4-{(4Z)-4-[(2Z)-3-(4-Fluoro-anilino)-1-hy-droxy-but-2-en-1-yl-idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-benzene-sulfonamide.

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

In the title compound, C(20)H(19)FN(4)O(4)S, the pyrazole and benzene-sulfonamide rings are coplanar [dihedral angle = 5.02 (15)°] but this planarity does not extend over the entire mol-ecule, the dihedral angle between the terminal six-membered rings being 33.24 (14)°. Intra-molecular hy-droxy-hy-droxy O-H⋯O and amine-hy-droxy N-H⋯O hydrogen bonds, as a well as a tight C-H⋯O(carbon-yl) inter-action, lead to a sequence of three fused S(6) rings. Supra-molecular chains along the a axis feature in ...[more]

PMID: 22412638

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