Kargar Hadi, Kia Reza, Tahir Muhammad Nawaz
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3311. doi: 10.1107/S1600536811047362. Epub 2011 Nov 16.
In the title thione-Schiff base compound, C(10)H(9)N(3)O(2)S(2), the dihedral angle between the benzene ring and the five-membered ring is 6.69 (8)°. An intra-molecular O-H⋯N hydrogen bond forms an S(2) (2)(6) ring. In the crystal, inversion dimers linked by pairs of N-H⋯S inter-actions occur, generating R(2) (2)(8) ring motifs. The crystal structure features a S⋯S contact [3.3776 (7) Å], which is significantly shorter than the sum of the van der Waals radii (3.7 Å). The crystal structure also features C-H⋯O and π-π inter-actions [centroid-centroid distances = 3.4636 (9)-3.808 (1) Å].
在标题硫酮-席夫碱化合物C(10)H(9)N(3)O(2)S(2)中,苯环与五元环之间的二面角为6.69 (8)°。分子内O-H⋯N氢键形成一个S(2) (2)(6)环。在晶体中,通过N-H⋯S相互作用对连接的反演二聚体出现,产生R(2) (2)(8)环 motif。晶体结构具有一个S⋯S接触 [3.3776 (7) Å],其明显短于范德华半径之和(3.7 Å)。晶体结构还具有C-H⋯O和π-π相互作用 [质心-质心距离 = 3.4636 (9)-3.808 (1) Å]。