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N-[(5-氯-3-甲基-1-苯基-1H-吡唑-4-基)羰基]-N'-(4-羟基苯基)硫脲

N-[(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)carbon-yl]-N'-(4-hydroxy-phen-yl)thio-urea.

作者信息

Du Haitang, Du Haijun, An Ying, Li Shengnan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 5;64(Pt 8):o1404. doi: 10.1107/S1600536808019417.

Abstract

In the title compound, C(18)H(15)ClN(4)O(2)S, the pyrazole ring makes dihedral angles of 67.4 (1) and 12.5 (1)° with the phenyl and 4-hydroxy-phenyl groups, respectively; the two benzene rings are twisted by 60.1 (1)° with respect to each other. The thio-urea NH groups are involved in N-H⋯O and N-H⋯Cl intra-molecular hydrogen bonds. A hydrogen bond between the phenolic OH group and the pyrazole N atom connects mol-ecules into a one-dimensional polymeric structure.

摘要

在标题化合物C(18)H(15)ClN(4)O(2)S中,吡唑环与苯基和4-羟基苯基分别形成67.4 (1)°和12.5 (1)°的二面角;两个苯环彼此间扭转60.1 (1)°。硫脲NH基团参与N-H⋯O和N-H⋯Cl分子内氢键。酚羟基与吡唑N原子之间的氢键将分子连接成一维聚合结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec73/2962037/bec100c28a5d/e-64-o1404-fig1.jpg

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