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10-乙基-3-(5-甲基-1,3,4-恶二唑-2-基)-10H-吩噻嗪

10-Ethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-10H-phenothia-zine.

作者信息

Pan Yu-Zhen, Wang You-Gui, Liu Jian-Hui, Sun Li-Cheng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Mar 1;68(Pt 3):o649. doi: 10.1107/S160053681200462X. Epub 2012 Feb 10.

DOI:10.1107/S160053681200462X
PMID:22412552
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3295441/
Abstract

In the title compound, C(17)H(15)N(3)OS, the phenothia-zine ring system is slightly bent, with a dihedral angle of 13.68 (7)° between the benzene rings. The dihedral angle between the oxadiazole ring and the adjacent benzene ring is 7.72 (7)°. In the crystal, a π-π inter-action with a centroid-centroid distance of 3.752 (2) Å is observed between the benzene rings of neighbouring mol-ecules.

摘要

在标题化合物C(17)H(15)N(3)OS中，吩噻嗪环系略有弯曲，苯环之间的二面角为13.68 (7)°。恶二唑环与相邻苯环之间的二面角为7.72 (7)°。在晶体中，观察到相邻分子的苯环之间存在质心间距为3.752 (2) Å的π-π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/326d/3295441/42b3d79c92ab/e-68-0o649-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/326d/3295441/42b3d79c92ab/e-68-0o649-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/326d/3295441/42b3d79c92ab/e-68-0o649-fig1.jpg

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Dye-sensitized solar cells.染料敏化太阳能电池。
Chem Rev. 2010 Nov 10;110(11):6595-663. doi: 10.1021/cr900356p. Epub 2010 Sep 10.
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Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.