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10 -（6 - 羟基 - 己 - 2,4 - 二炔 - 1 - 基）- 10H - 吩噻嗪5 - 氧化物

10-(6-Hy-droxy-hexa-2,4-diyn-1-yl)-10H-phenothia-zine 5-oxide.

作者信息

Tabata Hideyuki, Okuno Tsunehisa

机构信息

Department of Material Science and Chemistry, Wakayama University, Sakaedani, Wakayama 640-8510, Japan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2214. doi: 10.1107/S1600536812027511. Epub 2012 Jun 27.

DOI:10.1107/S1600536812027511
PMID:22798874
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3394009/
Abstract

The title compound, C(18)H(13)NO(2)S, has two independent mol-ecules (A and B) with similar conformations in the asymmetric unit. Both phenothia-zine moieties have a butterfly structure [dihedral angles between benzene rings = 155.17 (7) and 161.71 (7)°, respectively], and the central six-membered rings have a boat form. In the crystal, the A and B mol-ecules stack alternately along the b axis. The A and B mol-ecules are linked by O-H⋯O=S hydrogen bonds, forming zigzag chains along [10-1].

摘要

标题化合物C(18)H(13)NO(2)S在不对称单元中有两个构象相似的独立分子（A和B）。两个吩噻嗪部分均具有蝶形结构[苯环之间的二面角分别为155.17 (7)°和161.71 (7)°]，且中心六元环呈船形。在晶体中，A和B分子沿b轴交替堆积。A和B分子通过O-H⋯O=S氢键相连，沿[10-1]形成锯齿链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/76c3/3394009/14b7582b7ca6/e-68-o2214-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/76c3/3394009/ac627d36695f/e-68-o2214-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/76c3/3394009/14b7582b7ca6/e-68-o2214-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/76c3/3394009/ac627d36695f/e-68-o2214-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/76c3/3394009/14b7582b7ca6/e-68-o2214-fig2.jpg

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Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 25;65(Pt 8):o1978. doi: 10.1107/S1600536809028487.
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