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4,6,7,9,10,12-六氢-1,3-二硫杂环戊烯并[4,5-f][1,4,9]恶二噻环十一烷-2-硫酮

4,6,7,9,10,12-Hexahydro-1,3-dithiolo[4,5-f][1,4,9]oxadithia-cyclo-undecine-2-thione.

作者信息

Hou Rui-Bin, Li Bao, Yin Bing-Zhu, Wu Li-Xin

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 27;65(Pt 7):o1710. doi: 10.1107/S1600536809024003.

DOI:10.1107/S1600536809024003
PMID:21582961
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969415/
Abstract

In the title mol-ecule, C(9)H(12)S(5)O, the five-membered ring and attached S atom are essentially coplanar [mean deviation from the mean plane = 0.020 (1) Å]. The two S atoms belonging to the macrocycle deviate from this plane by 1.005 (1) and 1.337 (2) Å. In the crystal, π-π inter-actions link the mol-ecules into centrosymmetric dimers with a short distance of 3.753 (5) Å between the centroids of the five-membered rings.

摘要

在标题分子C(9)H(12)S(5)O中，五元环及相连的S原子基本共面[与平均平面的平均偏差 = 0.020 (1) Å]。属于大环的两个S原子偏离该平面的距离分别为1.005 (1) 和1.337 (2) Å。在晶体中，π-π相互作用将分子连接成中心对称的二聚体，五元环质心之间的短距离为3.753 (5) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5489/2969415/f1b3c356da13/e-65-o1710-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5489/2969415/f1b3c356da13/e-65-o1710-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5489/2969415/f1b3c356da13/e-65-o1710-fig1.jpg

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