Nath Paras, Bharty Manoj K, Chaurasia Rahul, Kumari Sanyucta, Gupta Sushil K
Department of Chemistry, Banaras Hindu University, Varanasi 221 005, India.
School of Studies in Chemistry, Jiwaji University, Gwalior 474 011, India.
Acta Crystallogr E Crystallogr Commun. 2015 Nov 21;71(Pt 12):o967-8. doi: 10.1107/S2056989015021271. eCollection 2015 Dec 1.
In the title compound, C13H18N2O3S2, the amide group is in the plane of the -benzoyl ring with a C-N-N-C torsion angle of 177.63 (12)°. The two di-thio-ate groups are in an anti conformation [torsion angles = 173.68 (8) and -9.98 (10)°]. An intra-molecular N-H⋯O hydrogen bond is observed. In the crystal, an O-H⋯O hydrogen bond and a weak C-H⋯O contact involving the same acceptor atom generate an S(6) ring motif and give rise to chains along [010].
在标题化合物C₁₃H₁₈N₂O₃S₂中,酰胺基团位于苯甲酰环平面内,C-N-N-C扭转角为177.63 (12)°。两个二硫代酸酯基团呈反式构象[扭转角 = 173.68 (8)°和 -9.98 (10)°]。观察到分子内存在N-H⋯O氢键。在晶体中,一个O-H⋯O氢键和一个涉及相同受体原子的弱C-H⋯O接触形成了一个S(6)环 motif,并沿[010]方向产生链状结构。