Zhan Xiu-Huan, Wang Zi-Yun, Tan Xiao-Hong, Tan Zhi-Wei, Song Xin-Jian
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 8;64(Pt 12):o2255. doi: 10.1107/S1600536808035149.
In the title compound, C(16)H(13)N(5)O(2)S, the five non-H atoms of the urea linkage adopt a planar configuration owing to the presence of an intra-molecular N-H⋯O hydrogen bond. The maximum deviation from planarity is 0.022 (2) Å. The thia-diazole and pyridine heterocyclic rings are close to being coplanar, with a dihedral angle of 6.7 (2)° between their mean planes. Inter-molecular N-H⋯O hydrogen bonds link two neighbouring mol-ecules into centrosymmetric R(2) (2)(8) dimers. Four C atoms and the attached H atoms of the benzene ring are disordered over two positions of equal occupancy.
在标题化合物C(16)H(13)N(5)O(2)S中，由于存在分子内N-H⋯O氢键，脲键的五个非氢原子呈平面构型。与平面的最大偏差为0.022 (2) Å。噻二唑和吡啶杂环几乎共面，它们的平均平面之间的二面角为6.7 (2)°。分子间N-H⋯O氢键将两个相邻分子连接成中心对称的R(2) (2)(8)二聚体。苯环的四个C原子及其连接的H原子在两个占有率相等的位置上无序分布。
