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N-苄基-氨基硫甲酰基-2-氯苯甲酰胺

N-Benzyl-carbamothioyl-2-chloro-benzamide.

作者信息

Zheng Xi, Li Bo, Wang Qiang, Guo Li

机构信息

Key Laboratory of Drug Targeting and Drug Delivery Systems, Ministry of Education, West China School of Pharmacy, Sichuan University, Chengdu 610041, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 26;66(Pt 7):o1774. doi: 10.1107/S1600536810023822.

DOI:10.1107/S1600536810023822
PMID:21587987
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3006700/
Abstract

In the title compound, C(15)H(13)ClN(2)OS, the dihedral angles between the sulfourea group and the benzene ring and the chloro-benzene ring are 35.8 (6) and 81.6 (6)° respectively. An intra-molecular N-H⋯O inter-action occurs. In the crystal, a combination of inter-molecular π-π stacking inter-actions [centroid-centroid distance = 4.0616 (16) Å] and N-H⋯S hydrogen bonds stabilizes the structure.

摘要

在标题化合物C₁₅H₁₃ClN₂OS中，硫脲基团与苯环和氯苯环之间的二面角分别为35.8 (6)°和81.6 (6)°。存在分子内N-H⋯O相互作用。在晶体中，分子间π-π堆积相互作用[质心-质心距离 = 4.0616 (16) Å]和N-H⋯S氢键的组合使结构得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2530/3006700/3830ae0e4d54/e-66-o1774-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2530/3006700/3830ae0e4d54/e-66-o1774-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2530/3006700/3830ae0e4d54/e-66-o1774-fig1.jpg

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