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(E)-2-[(6-乙氧基-苯并噻唑-2-基)亚氨基甲基]-6-甲氧基苯酚

(E)-2-[(6-Ethoxy-benzothia-zol-2-yl)imino-meth-yl]-6-methoxy-phenol.

作者信息

Kong Ling-Qian

机构信息

Dongchang College, Liaocheng University, 250059 Liaocheng, Shandong, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 25;65(Pt 4):o832. doi: 10.1107/S1600536809009337.

DOI:10.1107/S1600536809009337
PMID:21582552
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969048/
Abstract

In the title mol-ecule, C(17)H(16)N(2)O(3)S, the benzothia-zole fragment and the benzene ring form a dihedral angle of 13.8 (4)°, and an intramolecular O-H⋯N hydrogen bond occurs. In the crystal structure, pairs of weak inter-molecular O-H⋯S and C-H⋯(O,O) hydrogen bonds link mol-ecules into centrosymmetric dimers. These dimers are related by translation along the a axis and form stacks via π-π inter-actions, with a short inter-molecular distance of 3.766 (5) Å between the centroids of the benzene and thia-zole rings.

摘要

在标题分子C(17)H(16)N(2)O(3)S中,苯并噻唑片段与苯环形成的二面角为13.8 (4)°,且存在分子内O-H⋯N氢键。在晶体结构中,成对的弱分子间O-H⋯S和C-H⋯(O,O)氢键将分子连接成中心对称的二聚体。这些二聚体通过沿a轴的平移相关联,并通过π-π相互作用形成堆积,苯环和噻唑环质心之间的分子间短距离为3.766 (5) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9991/2969048/87485972408a/e-65-0o832-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9991/2969048/87485972408a/e-65-0o832-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9991/2969048/87485972408a/e-65-0o832-fig1.jpg

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