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N-(4-溴丁酰基)-N'-苯硫脲

N-(4-Bromo-butano-yl)-N'-phen-ylthio-urea.

作者信息

Yamin Bohari M, Othman Nur Eliyanti Ali

机构信息

School of Chemical Sciences and Food Technology, Universiti Kebangsaan Malaysia, UKM 43600 Bangi Selangor, Malaysia .

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1629. doi: 10.1107/S1600536811021684. Epub 2011 Jun 11.

DOI:10.1107/S1600536811021684
PMID:21837035
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3152046/
Abstract

The asymmetric unit of the title compound, C(11)H(13)Br(1)N(2)O(1)S(1), consists of two independent mol-ecules, which are linked by N-H⋯O hydrogen bonds, forming a dimer. Both mol-ecules maintain the trans--cis configuration with respect to the position of the butanoyl groups and benzene rings against the thiono group across the C-N bonds. The mol-ecule is stabilized by intra-molecular N-H⋯O hydrogen bonds. Inter-molecular N-H⋯S, C-H⋯S and C-H⋯π inter-actions also occur.

摘要

标题化合物C₁₁H₁₃BrNO₂S的不对称单元由两个独立的分子组成,它们通过N-H⋯O氢键相连,形成一个二聚体。两个分子相对于丁酰基和苯环相对于硫羰基横跨C-N键的位置保持反-顺构型。分子通过分子内N-H⋯O氢键得以稳定。分子间还存在N-H⋯S、C-H⋯S和C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41d3/3152046/bb514a7dff73/e-67-o1629-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41d3/3152046/612a7608b6b2/e-67-o1629-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41d3/3152046/bb514a7dff73/e-67-o1629-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41d3/3152046/612a7608b6b2/e-67-o1629-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41d3/3152046/bb514a7dff73/e-67-o1629-fig2.jpg

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