Tan Yew-Fung, Break Mohammed Khaled Bin, Tahir M Ibrahim M, Khoo Teng-Jin
Centre for Natural and Medicinal Product Research, School of Pharmacy, University of Nottingham Malaysia Campus, 43500 Semenyih, Malaysia.
Department of Chemistry, Faculty of Science, Universiti Putra, Malaysia.
Acta Crystallogr E Crystallogr Commun. 2015 Jan 31;71(Pt 2):238-40. doi: 10.1107/S205698901500095X. eCollection 2015 Feb 1.
The title compound, C17H18N2O2S2, synthesized via a condensation reaction between S-benzyl di-thio-carbazate and 3,4-di-meth-oxy-benzaldehyde, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. Both mol-ecules have an L-shape but differ in the orientation of the benzyl ring with respect to the 3,4-di-meth-oxy-benzyl-idine ring, this dihedral angle is 65.59 (8)° in mol-ecule A and 73.10 (8)° in mol-ecule B. In the crystal, the A and B mol-ecules are linked via pairs of N-H⋯S hydrogen bonds, forming dimers with an R 2 (2)(8) ring motif. The dimers are linked via pairs of C-H⋯O hydrogen bonds, giving inversion dimers of dimers. These units are linked by C-H⋯π inter-actions, forming ribbons propagating in the [100] direction.
标题化合物C17H18N2O2S2是通过S-苄基二硫代氨基脲与3,4-二甲氧基苯甲醛之间的缩合反应合成的,在不对称单元中结晶出两个独立的分子(A和B)。两个分子均呈L形,但苄基环相对于3,4-二甲氧基苯亚甲基环的取向不同,该二面角在分子A中为65.59 (8)°,在分子B中为73.10 (8)°。在晶体中,A和B分子通过N-H⋯S氢键对相连,形成具有R 2 (2)(8)环 motif的二聚体。二聚体通过C-H⋯O氢键对相连,形成二聚体的反演二聚体。这些单元通过C-H⋯π相互作用相连,形成沿[100]方向延伸的带状结构。