Saeed Sohail, Bhatti Moazzam Hussain, Tahir Muhammad Kalim, Jones Peter G
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 28;64(Pt 7):o1369. doi: 10.1107/S1600536808017868.
The title compound, C(14)H(18)N(2)O(3)S, crystallizes in the thio-amide form with an intra-molecular N-H⋯O hydrogen bond associated with the thio-urea unit. With the benzoic acid and the butyrylthio-ureido units, the mol-ecule consists of two planar building blocks connected by the common NH function adjacent to the aromatic ring. The inter-planar angle is 33.38 (3)°. Mol-ecules are connected in chains parallel to [110] by classical hydrogen bonds of the N-H⋯O type from the other NH group to the benzoate C=O of a neighboring mol-ecule.
标题化合物C(14)H(18)N(2)O(3)S以硫代酰胺形式结晶，存在与硫脲单元相关的分子内N-H⋯O氢键。该分子由苯甲酸和丁酰硫脲基单元组成，通过与芳环相邻的公共NH官能团连接两个平面结构单元。平面间夹角为33.38 (3)°。分子通过另一个NH基团与相邻分子的苯甲酸酯C=O形成的N-H⋯O型经典氢键，平行于[110]方向连接成链。
