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5-（1,3-二硫杂环戊二烯并[4,5-d][1,3]二硫醇-2-亚基）-1,3-二硫杂环戊二烯并[4,5-c][1,2,5]噻二唑：一种具有稠合1,2,5-噻二唑环和1,3-二硫醇环的不对称四硫富瓦烯。

5-(1,3-Dithiolo[4,5-d][1,3]dithiol-2-yl-idene)-1,3-dithiolo[4,5-c][1,2,5]thia-diazole: an unsymmetrical tetra-thia-fulvalene with fused 1,2,5-thia-diazole and 1,3-dithiole rings.

作者信息

Tomura Masaaki, Yamashita Yoshiro

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 22;65(Pt 5):o1082. doi: 10.1107/S1600536809014184.

DOI:10.1107/S1600536809014184
PMID:21583897
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977761/
Abstract

The title unsymmetrical tetra-thia-fulvalene (TTF), C(7)H(2)N(2)S(7), contains fused 1,2,5-thia-diazole and 1,3-dithiole rings and is a component mol-ecule for conducting organic solids. The TTF mol-ecule is disordered crystallographically over two orientations related by an inversion center, where each site is half-occupied. The mol-ecule is almost planar with an r.m.s. deviation of 0.096 Å. In the crystal structure, mol-ecules are linked by short inter-molecular S⋯S inter-actions [3.47 (2), 3.507 (8) and 3.517 (13) Å].

摘要

标题化合物不对称四硫富瓦烯（TTF），化学式为C(7)H(2)N(2)S(7)，包含稠合的1,2,5-噻二唑环和1,3-二硫杂环戊烯环，是构成导电有机固体的分子成分。TTF分子在晶体学上关于一个反演中心的两个取向无序排列，每个位置占有率为一半。该分子几乎呈平面状，均方根偏差为0.096 Å。在晶体结构中，分子通过短的分子间S⋯S相互作用[3.47 (2)、3.507 (8)和3.51 (13) Å]相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a9a/2977761/6890fba18347/e-65-o1082-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a9a/2977761/67a1e9f5d74f/e-65-o1082-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a9a/2977761/6890fba18347/e-65-o1082-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a9a/2977761/67a1e9f5d74f/e-65-o1082-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a9a/2977761/6890fba18347/e-65-o1082-fig2.jpg

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本文引用的文献

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