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苄基 (E)-2-(3,4-二甲氧基亚苄基)肼-1-碳二硫代酸酯的晶体结构

Crystal structure of benzyl (E)-2-(3,4-di-meth-oxy-benzyl-idene)hydrazine-1-carbodi-thio-ate.

作者信息

Tan Yew-Fung, Break Mohammed Khaled Bin, Tahir M Ibrahim M, Khoo Teng-Jin

机构信息

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.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Jan 31;71(Pt 2):238-40. doi: 10.1107/S205698901500095X. eCollection 2015 Feb 1.

Abstract

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.

摘要

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。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/92b5/4384544/05322ab2e505/e-71-00238-fig1.jpg

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