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(E)-2-{[(6-甲氧基-1,3-苯并噻唑-2-基)亚氨基]-甲基}苯酚的晶体结构

Crystal structure of (E)-2-{[(6-meth-oxy-1,3-benzo-thia-zol-2-yl)imino]-meth-yl}phenol.

作者信息

Hijji Yousef, Barare Belygona, Wairia Gilbert, Butcher Ray J, Wikaira Jan

机构信息

Department of Chemistry and Earth Sciences, Qatar University, Doha, Qatar.

Chemistry Department, Morgan State University, Baltimore, MD 21251, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Mar 21;71(Pt 4):385-7. doi: 10.1107/S2056989015005228. eCollection 2015 Apr 1.

Abstract

The title compound, C15H12N2O2S, crystallizes in the ortho-rhom-bic space group Pna21 , with two mol-ecules in the asymmetric unit (Z' = 2). Each mol-ecule consists of a 2-hy-droxy Schiff base moiety linked through a spacer to a 2-amino-benzo-thia-zole moiety. Each mol-ecule contains an intra-molecular hydrogen bond between the -OH group and imine N atom, forming a six-membered ring. The two independent molecules are linked by a pair of C-H⋯O hydrogen bonds, forming dimers with an R (2) 2(20) ring motif. These dimers are further lined into sheets in the ab plane by weak inter-molecular C-H⋯N inter-actions. The structure was refined as an inversion twin.

摘要

标题化合物C15H12N2O2S结晶于正交晶系空间群Pna21中,不对称单元中有两个分子(Z' = 2)。每个分子由一个通过间隔基连接到2-氨基苯并噻唑部分的2-羟基席夫碱部分组成。每个分子在-OH基团和亚胺N原子之间包含一个分子内氢键,形成一个六元环。两个独立的分子通过一对C-H⋯O氢键相连,形成具有R(2)2(20)环 motif的二聚体。这些二聚体通过弱分子间C-H⋯N相互作用在ab平面进一步排列成层。该结构被精修为一个倒易孪晶。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7c3b/4438847/86152452ff86/e-71-00385-fig1.jpg

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