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4-(2-氰基-乙基-硫烷基)-5'-(吡啶-4-基)四硫富瓦烯

4-(2-Cyano-ethyl-sulfan-yl)-5'-(pyridin-4-yl)tetra-thia-fulvalene.

作者信息

Li Haiyun, Wang Guannan, Xiao Xunwen

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1467. doi: 10.1107/S1600536811018800. Epub 2011 May 20.

DOI:10.1107/S1600536811018800
PMID:21754838
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3120500/
Abstract

In the title compound, C(14)H(10)N(2)S(5) [systematic name; 3-({2-[4-(pyridin-4-yl)-2H-1,3-dithiol-2-yl-idene]-2H-1,3-dithiol-4-yl}sul-fan-yl)propane-nitrile], all of the non-H atoms except for the cyano-ethyl-sulfanyl group, are approximately coplanar [maxium deviation = 0.090 (3) Å]. The two five-membered 1,3-dithiole rings are twisted by 2.6 (2)°. Weak inter-molecular S⋯S inter-actions occur [3.586 (4) and 3.530 (4) Å].

摘要

在标题化合物C(14)H(10)N(2)S(5) [系统名称:3 - ({2 - [4 - (吡啶 - 4 - 基)-2H - 1,3 - 二硫醇 - 2 - 亚基]-2H - 1,3 - 二硫醇 - 4 - 基}硫烷基)丙腈]中,除氰基乙硫烷基团外的所有非氢原子近似共平面[最大偏差 = 0.090 (3) Å]。两个五元1,3 - 二硫环扭转了2.6 (2)°。存在弱的分子间S⋯S相互作用[3.586 (4) 和3.530 (4) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/20b4/3120500/5646521c2099/e-67-o1467-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/20b4/3120500/eaa5311507bb/e-67-o1467-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/20b4/3120500/5646521c2099/e-67-o1467-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/20b4/3120500/eaa5311507bb/e-67-o1467-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/20b4/3120500/5646521c2099/e-67-o1467-fig2.jpg

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本文引用的文献

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3-(2-Thioxo-1,3-dithiol-4-ylsulfan-yl)-propane-nitrile.3-(2-硫代-1,3-二硫醇-4-基硫烷基)-丙腈
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A short history of SHELX.SHELX简史。
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Inorg Chem. 2007 Nov 26;46(24):10065-70. doi: 10.1021/ic700672e. Epub 2007 Oct 31.
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Synthesis strategies and chemistry of nonsymmetrically substituted tetrachalcogenafulvalenes.
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