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4-[3-(2-甲基苯甲酰基)硫代脲基]苯甲酸乙酯

Ethyl 4-[3-(2-methyl-benzo-yl)thio-ureido]benzoate.

作者信息

Saeed Aamer, Rafique Hummera, Mumtaz Amara, Bolte Michael

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Oct 17;65(Pt 11):o2774. doi: 10.1107/S160053680904183X.

DOI:10.1107/S160053680904183X
PMID:21578367
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2970993/
Abstract

The mol-ecular conformation of the title compound, C(18)H(18)N(2)O(3)S, is stabilized by an intra-molecular N-H⋯O hydrogen bond. The crystal packing shows centrosymmetric dimers connected by N-H⋯S hydrogen bonds. The terminal eth-oxy substituents are statistically disordered [occupancy ratio 0.527 (5):0.473 (5)].

摘要

标题化合物C(18)H(18)N(2)O(3)S的分子构象通过分子内N-H⋯O氢键得以稳定。晶体堆积显示通过N-H⋯S氢键连接的中心对称二聚体。末端乙氧基取代基存在统计学无序[占有率比为0.527 (5):0.473 (5)]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f19/2970993/35032f57d256/e-65-o2774-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f19/2970993/ccd46525a605/e-65-o2774-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f19/2970993/35032f57d256/e-65-o2774-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f19/2970993/ccd46525a605/e-65-o2774-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f19/2970993/35032f57d256/e-65-o2774-fig2.jpg

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