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5-氯-2-甲硫基-6-(萘-1-基氧基)-1H-苯并咪唑甲醇单溶剂合物

5-Chloro-2-methyl-sulfanyl-6-(naphtha-len-1-yl-oxy)-1H-benzimidazole methanol monosolvate.

作者信息

Flores-Ramos Miguel, Castillo Rafael, Hernández-Campos Alicia, Flores-Alamo Marcos

机构信息

Facultad de Química, Departamento de Farmacia, UNAM, México DF, 04510, Mexico.

Facultad de Química, Universidad Nacional Autónoma de México, México DF, 04510, Mexico.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Dec 21;70(Pt 1):o77. doi: 10.1107/S1600536813033709. eCollection 2014 Jan 1.

DOI:10.1107/S1600536813033709
PMID:24527009
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3914104/
Abstract

In the title compound, C18H13ClN2OS·CH3OH, the dihedral angle between the benzimidazole group and the naphth-yloxy moiety [82.89 (5)°] very near to orthogonality. The H atom in the five-membered ring is disordered with equal occupancies at the two N atoms and the H atom of the methano-lic hy-droxy group is disordered with equal occupancies over two sites at the O atom. The methanol mol-ecule acts as a hydrogen-bond acceptor for the amino H atom and donates a hydrogen bond to the nonprotonated ring N atom. As a result, chains are formed running along the a axis.

摘要

在标题化合物C18H13ClN2OS·CH3OH中，苯并咪唑基团与萘氧基部分之间的二面角[82.89 (5)°]非常接近正交。五元环中的H原子在两个N原子上无序分布且占有率相等，甲醇羟基的H原子在O原子上的两个位置上无序分布且占有率相等。甲醇分子作为氨基H原子的氢键受体，并向未质子化的环N原子提供氢键。结果，沿a轴形成了链状结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e6c2/3914104/1b69ffdfd8a1/e-70-00o77-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e6c2/3914104/db5d84af5e0e/e-70-00o77-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e6c2/3914104/1b69ffdfd8a1/e-70-00o77-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e6c2/3914104/db5d84af5e0e/e-70-00o77-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e6c2/3914104/1b69ffdfd8a1/e-70-00o77-fig2.jpg

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