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1-[3,5-Bis(trifluoro-meth-yl)phen-yl]-3-(2-pyrid-yl)thio-urea.

作者信息

Yue Huadong, Wang Yifeng, Xia Aibao, Luo Shuping, Xu Danqian

机构信息

State Key Laboratory Breeding Base of Green Chemistry-Synthesis Technology, Zhejiang University of Technology, Hangzhou 310014, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Apr 16;64(Pt 5):o858. doi: 10.1107/S1600536808009768.

Abstract

The title compound, C(14)H(9)F(6)N(3)S, exhibits a nearly planar conformation in the solid state, with a dihedral angle between the planes of the benzene and pyridine rings of 14.86 (3)°. The pyridine N atom allows for the formation of a six-membered N-H⋯N(py) hydrogen-bonded ring, thus forcing the two amide H atoms of the thio-urea group to point in opposite directions. The second N-H group forms an inter-molecular N-H⋯S hydrogen bond with the S atom of an adjacent mol-ecule. The F atoms of the two trifluoro-methyl groups display rotational disorder around the C-CF(3) axis, with an occupancy ratio of 0.54 (1):0.46 (1).

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a27c/2961226/54648d1ed8f3/e-64-0o858-fig1.jpg

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