Castro Rosane de P, Macedo Fernando C, Brito Tiago O, de Fátima Angelo, Sabino José R
Instituto de Física-UFG, Caixa Postal 131, 74001-970 Goiânia, GO, Brazil.
Acta Crystallogr Sect E Struct Rep Online. 2013 May 18;69(Pt 6):o923. doi: 10.1107/S1600536813013159. Print 2013 Jun 1.
The title compound, C15H14N2OS2, adopts a helix conformation. An intra-molecular N-H⋯O hydrogen bond leads to a six-membered pseudo-ring [r.m.s. deviation = 0.0212 Å, maximum deviation = 0.033 (1) Å for the N atom bearing the benzoyl group] in the central unit. The benzene and (methyl-sulfan-yl)benzene ring [r.m.s = 0.0028 Å and largest deviation of 0.067 (3) Å for the methyl-sulfanyl C atom] make dihedral angles of 31.76 (8) and 54.68 (6)°, respectively, with the pseudo-ring plane. The dihedral angle between the benzene rings is 85.71 (8)°. In the crystal, pairs of weak N-H⋯S inter-actions form inversion dimers and mediate a linear chain along [001].
标题化合物C15H14N2OS2呈螺旋构象。分子内N-H⋯O氢键在中心单元形成一个六元假环[r.m.s.偏差 = 0.0212 Å，对于带有苯甲酰基的N原子，最大偏差 = 0.033 (1) Å]。苯环和(甲基硫烷基)苯环[r.m.s = 0.0028 Å，甲基硫烷基C原子的最大偏差为0.067 (3) Å]与假环平面的二面角分别为31.76 (8)°和54.68 (6)°。苯环之间的二面角为85.71 (8)°。在晶体中，成对的弱N-H⋯S相互作用形成反演二聚体，并沿[001]介导形成一条线性链。
