Akkurt Mehmet, Celik Ismail, Demir Hale, Ozkırımlı Sumru, Büyükgüngör Orhan
Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 8;67(Pt 2):o293-4. doi: 10.1107/S1600536811000481.
In the title compound, C(16)H(14)N(4)O(4)S·H(2)O, the benzene and pyridine rings make a dihedral angle of 85.8 (1)°. Both enanti-omers of the chiral title compound are statistically disordered over the same position in the unit cell. The methyl and carbonyl group attached to the stereogenic center (C(5) of the thia-zolidine ring) were therefore refined with common site-occupation factors of 0.531 (9) and 0.469 (9), respectively, for each stereoisomer. In the crystal, inter-molecular N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds link the mol-ecules, forming a three-dimensional supra-molecular network. The crystal structure further shows π-π stacking inter-actions [centroid-centroid distance = 3.5063 (13) Å] between the pyridine rings.
在标题化合物C(16)H(14)N(4)O(4)S·H(2)O中，苯环和吡啶环形成的二面角为85.8 (1)°。手性标题化合物的两种对映体在晶胞中的同一位置上存在统计无序。因此，连接到立体中心（噻唑烷环的C(5)）的甲基和羰基，对于每个立体异构体，分别用0.531 (9)和0.469 (9)的共同占位因子进行精修。在晶体中，分子间的N-H⋯O、O-H⋯O和O-H⋯N氢键连接分子，形成三维超分子网络。晶体结构还显示吡啶环之间存在π-π堆积相互作用[质心-质心距离 = 3.5063 (13) Å]。
