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5,5'-[(1,4-亚苯基二亚甲基)双(硫代二亚基)]双(1-甲基-1H-1,2,3,4-四唑)

5,5'-[(1,4-Phenyl-enedimethyl-ene)bis-(sulfanedi-yl)]bis-(1-methyl-1H-1,2,3,4-tetra-zole).

作者信息

He Dan-Feng, Deng Jin-Jun, Zhou Fu-Jiang, Liu Hong-Sheng, Wang Li-Min

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3063. doi: 10.1107/S1600536811043182. Epub 2011 Oct 29.

DOI:10.1107/S1600536811043182
PMID:22220072
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3247454/
Abstract

The title mol-ecule, C(12)H(14)N(8)S(2), has point symmetry [Formula: see text] since it is situated on a crystallographic centre of symmetry. The 1-meth-yl/5-thio groups are in an anti-periplanar conformation. The dihedral angle between the benzene and tetra-zole rings is 84.33 (2)°. In the crystal, C-H⋯N hydrogen bonds link mol-ecules into ladder-like chains running along the b axis. There are also C-H⋯π inter-actions present in the crystal structure.

摘要

标题分子C(12)H(14)N(8)S(2)具有点对称性[化学式：见原文]，因为它位于晶体学对称中心上。1-甲基/5-硫基处于反式共平面构象。苯环和四唑环之间的二面角为84.33 (2)°。在晶体中，C-H⋯N氢键将分子连接成沿b轴延伸的梯状链。晶体结构中还存在C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c3d0/3247454/861529b60036/e-67-o3063-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c3d0/3247454/bf740c8e9bcb/e-67-o3063-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c3d0/3247454/861529b60036/e-67-o3063-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c3d0/3247454/bf740c8e9bcb/e-67-o3063-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c3d0/3247454/861529b60036/e-67-o3063-fig2.jpg

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