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2,5-双（1,3-二硫醇-2-亚基）-1,3-二硫杂环戊烷-4-硫酮

2,5-Bis(1,3-dithiol-2-yl-idene)-1,3-dithiol-ane-4-thione.

作者信息

Ueda Kazumasa, Suzuki Kenta, Kunimoto Kei, Yoza Kenji

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jan;68(Pt 1):o52. doi: 10.1107/S1600536811051518. Epub 2011 Dec 10.

DOI:10.1107/S1600536811051518
PMID:22259554
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3254410/
Abstract

The asymmetric unit of the title compound, C(9)H(4)S(7), contains two independent mol-ecules, in one of which the central five-membered ring is disordered over two orientations in a 0.924 (3):0.076 (3) ratio. The mol-ecular skeleton is almost planar: the average distance of the atoms from their mean plane is 0.128 (7) Å in the ordered mol-ecule, and 0.088 (5) and 0.123 (2) Å in the major and minor disorder components, respectively. The ordered and disordered mol-ecules form separate columns by stacking along the b axis. Adjacent columns inter-act via short S⋯S [3.33 (2), 3.434 (3), 3.444 (2), 3.503 (2), 3.519 (3) and 3.53 (4) Å] and S⋯H [2.814 (2), 2.87 (7), 2.92 (2), 2.9269 (18), 2.93 (2), 2.94 (2), 2.939 (2), 2.967 (2) and 2.974 (1) Å] contacts.

摘要

标题化合物C(9)H(4)S(7)的不对称单元包含两个独立分子，其中一个分子中的中心五元环在两种取向间无序，比例为0.924 (3):0.076 (3)。分子骨架几乎呈平面状：在有序分子中，原子与其平均平面的平均距离为0.128 (7) Å，在主要和次要无序组分中分别为0.088 (5) Å和0.123 (2) Å。有序和无序分子沿b轴堆积形成单独的列。相邻列通过短的S⋯S [3.33 (2)、3.434 (3)、3.444 (2)、3.503 (2)、3.519 (3)和3.53 (4) Å]和S⋯H [2.814 (2)、2.87 (7)、2.92 (2)、2.9269 (18)、2.93 (2)、2.94 (2)、2.939 (2)、2.967 (2)和2.974 (1) Å]接触相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1e50/3254410/457acbd8952e/e-68-00o52-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1e50/3254410/4709b0c6cf63/e-68-00o52-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1e50/3254410/2349ed71fb50/e-68-00o52-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1e50/3254410/457acbd8952e/e-68-00o52-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1e50/3254410/4709b0c6cf63/e-68-00o52-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1e50/3254410/2349ed71fb50/e-68-00o52-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1e50/3254410/457acbd8952e/e-68-00o52-fig3.jpg

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