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N-(5-氯-1,3-噻唑-2-基)-2,4-二氟苯甲酰胺

N-(5-Chloro-1,3-thia-zol-2-yl)-2,4-difluoro-benzamide.

作者信息

Liu Xi-Wang, Li Jian-Yong, Zhang Han, Yang Ya-Jun, Zhang Ji-Yu

机构信息

Key Laboratory of the New Animal Drug Project, Gansu Province, Key Laboratory of Veterinary Pharmaceutical Development, Ministry of Agriculture, Lanzhou Institute of Animal Science and Veterinary Pharmaceutics of CAAS, Lanzhou 730050, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1857. doi: 10.1107/S1600536812022477. Epub 2012 May 23.

Abstract

The title compound, C(10)H(5)ClF(2)N(2)OS, was obtained by linking an amino heterocycle and a substituted benzoyl chloride. The dihedral angle between the two rings is 41.2 (2)° and the equalization of the amide C-N bond lengths reveals the existence of conjugation between the benzene ring and the thia-zole unit. In the crystal, pairs of N-H⋯N hydrogen bonds link mol-ecules into inversion dimers. Non-classical C-H⋯F and C-H⋯O hydrogen bonds stabilize the crystal structure.

摘要

标题化合物C(10)H(5)ClF(2)N(2)OS是通过连接一个氨基杂环和一个取代苯甲酰氯得到的。两个环之间的二面角为41.2 (2)°,酰胺C-N键长的均等化表明苯环和噻唑单元之间存在共轭。在晶体中,N-H⋯N氢键对将分子连接成反演二聚体。非经典的C-H⋯F和C-H⋯O氢键稳定了晶体结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b679/3379424/bd1451cede85/e-68-o1857-fig1.jpg

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