1-[3,5-Bis(trifluoro­meth­yl)phen­yl]-3-(2-pyrid­yl)thio­urea

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...

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Detalles Bibliográficos
Autores principales: Yue, Huadong, Wang, Yifeng, Xia, Aibao, Luo, Shuping, Xu, Danqian
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961226/
https://www.ncbi.nlm.nih.gov/pubmed/21202345
http://dx.doi.org/10.1107/S1600536808009768
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author Yue, Huadong
Wang, Yifeng
Xia, Aibao
Luo, Shuping
Xu, Danqian
author_facet Yue, Huadong
Wang, Yifeng
Xia, Aibao
Luo, Shuping
Xu, Danqian
author_sort Yue, Huadong
collection PubMed
description 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 thio­urea group to point in opposite directions. The second N—H group forms an inter­molecular N—H⋯S hydrogen bond with the S atom of an adjacent mol­ecule. The F atoms of the two trifluoro­methyl groups display rotational disorder around the C—CF(3) axis, with an occupancy ratio of 0.54 (1):0.46 (1).
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spelling pubmed-29612262010-12-30 1-[3,5-Bis(trifluoro­meth­yl)phen­yl]-3-(2-pyrid­yl)thio­urea Yue, Huadong Wang, Yifeng Xia, Aibao Luo, Shuping Xu, Danqian Acta Crystallogr Sect E Struct Rep Online Organic Papers 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 thio­urea group to point in opposite directions. The second N—H group forms an inter­molecular N—H⋯S hydrogen bond with the S atom of an adjacent mol­ecule. The F atoms of the two trifluoro­methyl groups display rotational disorder around the C—CF(3) axis, with an occupancy ratio of 0.54 (1):0.46 (1). International Union of Crystallography 2008-04-16 /pmc/articles/PMC2961226/ /pubmed/21202345 http://dx.doi.org/10.1107/S1600536808009768 Text en © Yue et al. 2008 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Yue, Huadong
Wang, Yifeng
Xia, Aibao
Luo, Shuping
Xu, Danqian
1-[3,5-Bis(trifluoro­meth­yl)phen­yl]-3-(2-pyrid­yl)thio­urea
title 1-[3,5-Bis(trifluoro­meth­yl)phen­yl]-3-(2-pyrid­yl)thio­urea
title_full 1-[3,5-Bis(trifluoro­meth­yl)phen­yl]-3-(2-pyrid­yl)thio­urea
title_fullStr 1-[3,5-Bis(trifluoro­meth­yl)phen­yl]-3-(2-pyrid­yl)thio­urea
title_full_unstemmed 1-[3,5-Bis(trifluoro­meth­yl)phen­yl]-3-(2-pyrid­yl)thio­urea
title_short 1-[3,5-Bis(trifluoro­meth­yl)phen­yl]-3-(2-pyrid­yl)thio­urea
title_sort 1-[3,5-bis(trifluoro­meth­yl)phen­yl]-3-(2-pyrid­yl)thio­urea
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961226/
https://www.ncbi.nlm.nih.gov/pubmed/21202345
http://dx.doi.org/10.1107/S1600536808009768
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AT xiaaibao 135bistrifluoromethylphenyl32pyridylthiourea
AT luoshuping 135bistrifluoromethylphenyl32pyridylthiourea
AT xudanqian 135bistrifluoromethylphenyl32pyridylthiourea

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