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5,8-双(3-羟基-3-甲基-丁-1-炔-1-基)-2,11-二硫杂-[3.3]对环芳烷。

5,8-Bis(3-hy-droxy-3-methyl-but-1-yn-1-yl)-2,11-dithia-[3.3]paracyclo-phane.

作者信息

Wu Di, Huang Jie

机构信息

Key Laboratory of Pesticide and Chemical Biology of the Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3374. doi: 10.1107/S1600536811048446. Epub 2011 Nov 19.

DOI:10.1107/S1600536811048446
PMID:22199866
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3239018/
Abstract

IN THE CRYSTAL STRUCTURE OF THE TITLE COMPOUND [SYSTEMATIC NAME: 2,2'-dimethyl-4,4'-(3,10-dithia-tricyclo-[10.2.2.2(5,8)]octa-deca-1(14),5,7,12,15,17-hexaen-6,17-di-yl)dibut-3-yn-2-ol], C(26)H(28)O(2)S(2), mol-ecules are linked by O-H⋯O hydrogen bonds, forming a tubular chain which runs parallel to the b axis. The tubular structure is reinforced by π-π stacking inter-actions [centroid-centroid distance = 3.6332(16Å].

摘要

在标题化合物[系统名称：2,2'-二甲基-4,4'-(3,10-二硫杂三环-[10.2.2.2(5,8)]十八碳-1(14),5,7,12,15,17-六烯-6,17-二亚基)二丁-3-炔-2-醇]，C(26)H(28)O(2)S(2)的晶体结构中，分子通过O-H⋯O氢键相连，形成一条平行于b轴的管状链。管状结构通过π-π堆积相互作用得到加强[质心-质心距离 = 3.6332(16Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6363/3239018/46fbe5f7bdaa/e-67-o3374-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6363/3239018/7beb5732eb39/e-67-o3374-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6363/3239018/46fbe5f7bdaa/e-67-o3374-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6363/3239018/7beb5732eb39/e-67-o3374-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6363/3239018/46fbe5f7bdaa/e-67-o3374-fig2.jpg

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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.