title: Crystal structure of (E)-3-[4-(benzyl-idene-amino)-5-sulfanyl-idene-3-(p-tol-yl)-4,5-di-hydro-1H-1,2,4-triazol-1-yl]-3-(4-meth-oxy-phen-yl)-1-phenyl-propan-1-one.
abstract: The title compound, C32H28N4O2S, crystallizes as a racemate. In the mol-ecule, the bond-angle sum at the C atom of the sulfanyl-idene entity bound to the triazole ring is 360°, with an annular N-C-N bond angle of 102.6 (2)° and two larger N-C-S angles of 127.3 (2) and 130.1 (2)°. The essentially planar 1,2,4-triazole ring (r.m.s. deviation = 0.013 Å) is nearly perpendicular to the phenylpropanone and methoxyphenyl rings , making dihedral angles of 76.9 (2) and 85.2 (2)°, respectively and subtends dihedral angles of 17.6 (2) and 40.3 (2)° with the tolyl and benzylideneamino rings, respectively. There is no π-π stacking between the mol-ecules. The crystal packing is dominated by weak C-H⋯O and C-H⋯N inter-actions, leading to a three-dimensional network structure. An intra-molecular C-H⋯S inter-action also occurs.
authors: College of Chemical Engineering, Huanggang Normal University, Huanggang 438000, People's Republic of China.
authors: Hewen
authors: H
authors: Wang
keywords: 1,2,4-triazole derivative; Mannich reaction; crystal structure