Saeed Sohail, Rashid Naghmana, Wong Wing-Tak, Hussain Rizwan
Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 19;67(Pt 3):o660. doi: 10.1107/S1600536811005228.
In the title compound, C(10)H(6)N(4)O(5)S·H(2)O, the thia-zole ring is twisted at a dihedral angle of 25.87 (7)° with respect to the benzene ring. The water mol-ecule is linked with the benzamide mol-ecules via N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds. In the crystal, π-π stacking is observed between nearly parallel [dihedral angle = 7.02 (7)°] thia-zole and benzene rings of adjacent mol-ecules, the centroid-centroid distances being 3.7107 (9) and 3.7158 (9) Å, respectively.
在标题化合物C(10)H(6)N(4)O(5)S·H(2)O中,噻唑环相对于苯环以25.87 (7)°的二面角扭曲。水分子通过N-H⋯O、O-H⋯N和O-H⋯O氢键与苯甲酰胺分子相连。在晶体中,相邻分子的噻唑环和苯环几乎平行[二面角 = 7.02 (7)°],观察到π-π堆积,其质心间距分别为3.7107 (9) Å和3.7158 (9) Å。