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（3RS）-S-[1-（3-氯苯基）-2-氧代吡咯烷-3-基]硫脲溴化物

(3RS)-S-[1-(3-Chloro-phen-yl)-2-oxopyr-roli-din-3-yl]thio-uronium bromide.

作者信息

Hanusek Jiří, Sedlák Miloš, Drabina Pavel, Ružička Aleš

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 28;65(Pt 2):o411-2. doi: 10.1107/S1600536809001603.

DOI:10.1107/S1600536809001603
PMID:21582003
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968325/
Abstract

In the title molecular salt, C(11)H(13)ClN(3)OS(+)·Br(-), the C-N bond lengths in the -S-C(NH(2))(2) fragment indicate partial double-bond character of these bonds. The constituent ions are connected by N-H⋯Br bridges into Z-shaped chains. The supra-molecular architecture of the structure can be described by being composed of these chains inter-locked by additional C-H⋯Br short contacts. An intra-molecular N-H⋯O=C bridge, as well as weak C-H⋯O hydrogen bonds, are also present in the structure.

摘要

在标题分子盐C(11)H(13)ClN(3)OS(+)·Br(-)中，-S-C(NH(2))(2)片段中的C-N键长表明这些键具有部分双键特征。组成离子通过N-H⋯Br桥连形成Z形链。该结构的超分子结构可描述为由这些链通过额外的C-H⋯Br短接触相互锁定组成。结构中还存在分子内N-H⋯O=C桥以及弱C-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44e2/2968325/34748ac08749/e-65-0o411-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44e2/2968325/ff4906ffe927/e-65-0o411-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44e2/2968325/27f917fc04ac/e-65-0o411-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44e2/2968325/34748ac08749/e-65-0o411-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44e2/2968325/ff4906ffe927/e-65-0o411-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44e2/2968325/27f917fc04ac/e-65-0o411-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44e2/2968325/34748ac08749/e-65-0o411-fig3.jpg

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