Shahwar Durre, Tahir M Nawaz, Chohan Muhammad Mansha, Ahmad Naeem
Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o508. doi: 10.1107/S1600536812002371. Epub 2012 Jan 25.
In the crystal structure of title compound, C(9)H(10)N(2)OS, there are two symmetry-independent mol-ecules, each having an intra-molecular N-H⋯O hydrogen bond generating an S(6) ring motif. The benzene rings and the virtually planar acetyl-thoiurea fragments [r.m.s. deviations = 0.0045 and 0.0341 Å] are oriented at dihedral angles of 50.71 (6) and 62.79 (6)° in the two mol-ecules. In the crystal, N-H⋯S and N-H⋯O hydrogen bonds link mol-ecules via cyclic R(2) (2)(8) and R(2) (2)(12) motifs into a one-dimensional polymeric network extending along [101]. The intra- and inter-molecular N-H⋯O inter-actions are part of a three-center hydrogen bond. A C-H⋯S inter-action also occurs.
在标题化合物C(9)H(10)N(2)OS的晶体结构中，有两个独立的分子，每个分子都有一个分子内N-H⋯O氢键，形成一个S(6)环模式。苯环和几乎呈平面的乙酰硫脲片段[r.m.s.偏差分别为0.0045和0.0341 Å]在两个分子中的二面角分别为50.71 (6)和62.79 (6)°。在晶体中，N-H⋯S和N-H⋯O氢键通过环状R(2) (2)(8)和R(2) (2)(12)模式将分子连接成一个沿[101]方向延伸的一维聚合物网络。分子内和分子间的N-H⋯O相互作用是三中心氢键的一部分。还存在C-H⋯S相互作用。
