Mohamed Shaaban K, Abdelhamid Antar A, Younes Sabry H H, Elremaily Mahmoud A A, Simpson Jim
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2371-2. doi: 10.1107/S1600536812030243. Epub 2012 Jul 7.
In the title compound, C(11)H(12)N(2)O(2)S, the thia-zole and phenyl rings are inclined at 56.99 (6)° to one another. The thia-zole ring is planar with an r.m.s. deviation for the five ring atoms of 0.0274 Å. The presence of the phenyl-imine substituent is confirmed with the C=N distance to the thia-zole ring of 1.2638 (19) Å. The mol-ecule adopts a Z conformation with respect to this bond. The -OH group of the hy-droxy-ethyl substituent is disordered over two positions with relative occupancies 0.517 (4) and 0.483 (4). In the crystal, O-H⋯O hydrogen bonds, augmented by C-H⋯N contacts, form dimers with R(2) (2)(11) rings and generate chains along the b axis. Parallel chains are linked in an obverse fashion by weak C-H⋯S hydrogen bonds. C-H⋯O hydrogen bonds together with C-H⋯π contacts further consolidate the structure, stacking mol-ecules along the b axis.
在标题化合物C(11)H(12)N(2)O(2)S中，噻唑环和苯环相互倾斜56.99 (6)°。噻唑环呈平面状，五个环原子的均方根偏差为0.0274 Å。通过与噻唑环的C=N距离为1.2638 (19) Å证实了苯基亚胺取代基的存在。分子相对于该键采取Z构象。羟乙基取代基的-OH基团在两个位置上无序，相对占有率分别为0.517 (4)和0.483 (4)。在晶体中，O-H⋯O氢键通过C-H⋯N接触得到增强，形成具有R(2) (2)(11)环的二聚体，并沿b轴生成链。平行链通过弱C-H⋯S氢键以相反的方式连接。C-H⋯O氢键与C-H⋯π接触进一步巩固了结构，使分子沿b轴堆积。
