Arshad Muhammad Nadeem, Tahir M Nawaz, Khan Islam Ullah, Siddiqui Waseeq Ahmad, Shafiq Muhammad
Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 8;65(Pt 2):o230. doi: 10.1107/S1600536808043754.
In the mol-ecule of the title compound, C(13)H(10)INO(4)S·H(2)O, the coordination around the S atom is distorted tetra-hedral. The aromatic rings are oriented at a dihedral angle of 74.18 (17)°. Intra-molecular C-H⋯O hydrogen bonds result in the formation of non-planar five- and six-membered rings, which adopt envelope and twist conformations, respectively. In the crystal structure, inter-molecular N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules. π-π Contacts between the phenyl rings [centroid-centroid distance = 3.726 (3) Å] may further stabilize the structure. There is also a C-H⋯π inter-action.
在标题化合物C₁₃H₁₀INO₄S·H₂O的分子中，S原子周围的配位呈扭曲四面体构型。芳环以74.18 (17)°的二面角取向。分子内的C—H⋯O氢键导致形成非平面的五元环和六元环，它们分别呈信封式和扭曲构象。在晶体结构中，分子间的N—H⋯O、O—H⋯O和C—H⋯O氢键将分子连接起来。苯环之间的π-π接触[质心-质心距离 = 3.726 (3) Å]可能进一步稳定该结构。还存在C—H⋯π相互作用。
