Fonseca Alexandra de Souza, Storino Tomás Garcia, Carratu Vanessa Santana, Locatelli Aline, de Oliveira Adriano Bof
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3256. doi: 10.1107/S1600536811046605. Epub 2011 Nov 12.
In the title compound, C(15)H(13)N(3)O(3)S, the C-S-N(H)-N linkage is non-planar, the torsion angle being -65.12 (13)° and the S atom showing a tetra-hedral environment. The compound has two almost planar fragments linked to the S atom: the isatin-derivative fragment [(C(8)H(5)NO)N-N(H)-] and the tolyl fragment [C(7)H(7)-] have maximum deviations from the mean plane through the non-H atoms of 0.0813 (13) and 0.0094 (16) Å, respectively, and make an inter-planar angle of 80.48 (3)°. In the crystal, mol-ecules are connected into inversion dimers via pairs of N-H⋯O hydrogen bonds. Additionally, the mol-ecular structure is stabilized by an intra-molecular N-H⋯O hydrogen bond.
在标题化合物C₁₅H₁₃N₃O₃S中，C-S-N(H)-N键是非平面的，扭转角为-65.12 (13)°，S原子呈现四面体环境。该化合物有两个与S原子相连的近似平面片段：异吲哚酮衍生物片段[(C₈H₅NO)N-N(H)-]和甲苯基片段[C₇H₇-]，其与通过非H原子的平均平面的最大偏差分别为0.0813 (13) 和0.0094 (16) Å，且平面间夹角为80.48 (3)°。在晶体中，分子通过N-H⋯O氢键对连接成反演二聚体。此外，分子结构通过分子内N-H⋯O氢键得以稳定。
