4-(3-Phenyl-3,3a,4,5-tetra-hydro-2H-benzo[g]indazol-2-yl)benzene-sulfonamide ethanol monosolvate.

ABSTRACT: In the title compound ethanol monosolvate, C(23)H(21)N(3)O(2)S·C(2)H(5)OH, the dihydro-pyrazole ring is twisted about the Csp(3)-Csp(3) bond. Nevertheless, the ring approximates a plane (r.m.s. deviation for the fitted atoms = 0.132?Å) and forms dihedral angles of 5.80?(13) and 12.29?(12)°, respectively, with the fused- and sulfonamide-benzene rings. As the dihydro-pyrazole C-bound phenyl group is roughly perpendicular to the dihydro-pyrazole ring [dihedral angle = 74.04?(15)°; the amino group is orientated to the same side of the mol-ecule], to a first approximation, the mol-ecule has a stunted T-shape. The cyclo-hexene ring adopts a half-chair conformation with the methyl-ene C atom connected to the dihydro-pyrazole ring lying 0.665?(4)?Å out of the plane of the five remaining atoms (r.m.s. deviation = 0.050?Å). The components of the asymmetric unit are connected by an O-H?O hydrogen bond. Further links between mol-ecules leading to a three-dimensional architecture are of the type N-H?O.

SUBMITTER: Asiri AM 

PROVIDER: S-EPMC3394043 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature