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3-[(E,E)-3-苯基-丙-2-烯基亚甲基]二硫代氨基甲酸甲酯

Methyl 3-[(E,E)-3-phenyl-prop-2-enyl-idene]dithio-carbazate.

作者信息

Tarafder M T H, Khan Sultana Shakila, Islam M A A A A, Lorenzi Lea, Zangrando Ennio

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 20;66(Pt 11):o2851. doi: 10.1107/S1600536810041115.

DOI:10.1107/S1600536810041115
PMID:21589036
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3008995/
Abstract

In the title compound, C(11)H(12)N(2)S(2), the dithio-carbazate group adopts an EE configuration with respect to the C=C and C=N bonds of the propenyl-idene group. The atoms of the propenyl-idene and dithio-carbazate unit are essentially co-planar, with a maximum deviation of 0.058 (1) Å; the phenyl ring forms a dihedral angle of 18.3 (1)° with this fragment. In the crystal, mol-ecules form inversion dimers via pairs of N-H⋯S hydrogen bonds involving the terminal S atom.

摘要

在标题化合物C₁₁H₁₂N₂S₂中,二硫代卡巴腙基团相对于亚丙烯基的C=C和C=N键采取EE构型。亚丙烯基和二硫代卡巴腙单元的原子基本共面,最大偏差为0.058 (1) Å;苯环与该片段形成18.3 (1)°的二面角。在晶体中,分子通过涉及末端S原子的N-H⋯S氢键对形成反演二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc2f/3008995/07acf7b71a1e/e-66-o2851-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc2f/3008995/07acf7b71a1e/e-66-o2851-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc2f/3008995/07acf7b71a1e/e-66-o2851-fig1.jpg

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