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1-（2-甲基-咪唑并[1,2-a]吡啶-3-基）-3,3-双（甲基硫烷基）-2-丙烯酮一水合物

1-(2-Methyl-imidazo[1,2-a]pyridin-3-yl)-3,3-bis-(methyl-sulfan-yl)prop-2-enone monohydrate.

作者信息

Bibila Mayaya Bisseyou Yvon, Sissouma Drissa, Goulizan Bi Severin D, Ouattara Mahama, Yao-Kakou R C A

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 27;65(Pt 7):o1698-9. doi: 10.1107/S1600536809023514.

DOI:10.1107/S1600536809023514
PMID:21582952
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969197/
Abstract

The title compound, C(13)H(14)N(2)OS(2)·H(2)O, appears in the form of bimolecular aggregate in which mol-ecular components are linked by O-H⋯N hydrogen bonding. The nine-membered imidazo[1,2-a]pyridine system is almost planar, with a mean deviation of 0.026 (1) Å. An intra-molecular C-H⋯O hydrogen bond forms within the imidazo[1,2-a]pyridine system. The crystal packing is consolidated by O-H⋯O and C-H⋯O hydrogen bonds, forming a supra-molecular structure consisting of perpendicular infinite mol-ecular chains running along the a and c axes.

摘要

标题化合物C(13)H(14)N(2)OS(2)·H(2)O以双分子聚集体的形式出现，其中分子组分通过O-H⋯N氢键相连。九元咪唑并[1,2-a]吡啶体系几乎是平面的，平均偏差为0.026 (1) Å。在咪唑并[1,2-a]吡啶体系内形成了分子内C-H⋯O氢键。晶体堆积通过O-H⋯O和C-H⋯O氢键得以巩固，形成了由沿a轴和c轴延伸的垂直无限分子链组成的超分子结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/53ac/2969197/560a7ab32d59/e-65-o1698-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/53ac/2969197/65aad1c00f1f/e-65-o1698-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/53ac/2969197/560a7ab32d59/e-65-o1698-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/53ac/2969197/65aad1c00f1f/e-65-o1698-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/53ac/2969197/560a7ab32d59/e-65-o1698-fig2.jpg

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