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4-甲氧基-2-{（E）-[（噻吩-2-基）甲基亚氨基]甲基}苯酚

4-Meth-oxy-2-{(E)-[(thio-phen-2-yl)methyl-imino]-meth-yl}phenol.

作者信息

Kantar Esen Nur, Köysal Yavuz, Macit Mustafa, Er Ebru, Soylu Mustafa Serkan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2801. doi: 10.1107/S1600536812036586. Epub 2012 Aug 31.

DOI:10.1107/S1600536812036586
PMID:22969674
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3435828/
Abstract

The title Schiff base, C(13)H(13)NO(2)S, adopts the phenol-imine tautomeric form and reveals an intra-molecular O-H⋯N hydrogen bond involving the hy-droxy group and the imino N atom, forming an S(6) ring. The mol-ecule is highly twisted with respect to the central imine group, which is reflected in the dihedral angle of 67.83 (10)° formed by the thienyl and phenol rings. The crystal packing is characterized by weak C-H⋯O and C-H⋯π inter-actions.

摘要

席夫碱C(13)H(13)NO(2)S采取酚亚胺互变异构形式，揭示了一个涉及羟基和亚氨基N原子的分子内O-H⋯N氢键，形成一个S(6)环。该分子相对于中心亚胺基团高度扭曲，这反映在噻吩基环和酚环形成的67.83 (10)°二面角上。晶体堆积的特征是存在弱的C-H⋯O和C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2317/3435828/3036ca4431a3/e-68-o2801-fig1.jpg

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