(E,E)-4-{4-[3-(4-Chloro-anilino)-1-hydroxy-but-2-enyl-idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-benzene-sulfonamide.

ABSTRACT: The mol-ecule of the title compound, C(20)H(19)ClN(4)O(4)S, features a central pyrazole ring that possesses a benzene substituent, as well as a conjugated =C-C=C-C(meth-yl) substituent. The benzene ring is slightly twisted [dihedral angle = 7.7?(2)°] with respect to the five-membered ring; the mean plane of the zigzag =C-C=C-C fragment [torsion angle = 178.0?(4)°] is also slightly twisted [dihedral angle = 10.6?(4)°]. The amine and hy-droxy groups form intra-molecular hydrogen bonds. The amide group uses one of its H atoms to form a hydrogen bond to the sulfamyl O atom of an inversion-related mol-ecule. Adjacent dimers are further linked by an N-H(amido)?N(pyrazole) hydrogen bond to generate a linear chain. The crystal studied is a nonmerohedral twin with a minor twin component of 25.6?(2)%.

SUBMITTER: Asiri AM 

PROVIDER: S-EPMC3151870 | biostudies-other | 2011 Jul

REPOSITORIES: biostudies-other