1-(4-Methyl­benzo­yl)-3-[5-(4-pyrid­yl)-1,3,4-thia­diazol-2-yl]urea

In the title compound, C(16)H(13)N(5)O(2)S, the five non-H atoms of the urea linkage adopt a planar configuration owing to the presence of an intra­molecular N—H⋯O hydrogen bond. The maximum deviation from planarity is 0.022 (2) Å. The thia­diazole and pyridine heterocyclic rings are close to being...

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Autores principales: Zhan, Xiu-Huan, Wang, Zi-Yun, Tan, Xiao-Hong, Tan, Zhi-Wei, Song, Xin-Jian
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959837/
https://www.ncbi.nlm.nih.gov/pubmed/21581236
http://dx.doi.org/10.1107/S1600536808035149
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author Zhan, Xiu-Huan
Wang, Zi-Yun
Tan, Xiao-Hong
Tan, Zhi-Wei
Song, Xin-Jian
author_facet Zhan, Xiu-Huan
Wang, Zi-Yun
Tan, Xiao-Hong
Tan, Zhi-Wei
Song, Xin-Jian
author_sort Zhan, Xiu-Huan
collection PubMed
description In the title compound, C(16)H(13)N(5)O(2)S, the five non-H atoms of the urea linkage adopt a planar configuration owing to the presence of an intra­molecular N—H⋯O hydrogen bond. The maximum deviation from planarity is 0.022 (2) Å. The thia­diazole and pyridine heterocyclic rings are close to being coplanar, with a dihedral angle of 6.7 (2)° between their mean planes. Inter­molecular N—H⋯O hydrogen bonds link two neighbouring mol­ecules into centrosymmetric R (2) (2)(8) dimers. Four C atoms and the attached H atoms of the benzene ring are disordered over two positions of equal occupancy.
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spelling pubmed-29598372010-12-30 1-(4-Methyl­benzo­yl)-3-[5-(4-pyrid­yl)-1,3,4-thia­diazol-2-yl]urea Zhan, Xiu-Huan Wang, Zi-Yun Tan, Xiao-Hong Tan, Zhi-Wei Song, Xin-Jian Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(13)N(5)O(2)S, the five non-H atoms of the urea linkage adopt a planar configuration owing to the presence of an intra­molecular N—H⋯O hydrogen bond. The maximum deviation from planarity is 0.022 (2) Å. The thia­diazole and pyridine heterocyclic rings are close to being coplanar, with a dihedral angle of 6.7 (2)° between their mean planes. Inter­molecular N—H⋯O hydrogen bonds link two neighbouring mol­ecules into centrosymmetric R (2) (2)(8) dimers. Four C atoms and the attached H atoms of the benzene ring are disordered over two positions of equal occupancy. International Union of Crystallography 2008-11-08 /pmc/articles/PMC2959837/ /pubmed/21581236 http://dx.doi.org/10.1107/S1600536808035149 Text en © Zhan 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
Zhan, Xiu-Huan
Wang, Zi-Yun
Tan, Xiao-Hong
Tan, Zhi-Wei
Song, Xin-Jian
1-(4-Methyl­benzo­yl)-3-[5-(4-pyrid­yl)-1,3,4-thia­diazol-2-yl]urea
title 1-(4-Methyl­benzo­yl)-3-[5-(4-pyrid­yl)-1,3,4-thia­diazol-2-yl]urea
title_full 1-(4-Methyl­benzo­yl)-3-[5-(4-pyrid­yl)-1,3,4-thia­diazol-2-yl]urea
title_fullStr 1-(4-Methyl­benzo­yl)-3-[5-(4-pyrid­yl)-1,3,4-thia­diazol-2-yl]urea
title_full_unstemmed 1-(4-Methyl­benzo­yl)-3-[5-(4-pyrid­yl)-1,3,4-thia­diazol-2-yl]urea
title_short 1-(4-Methyl­benzo­yl)-3-[5-(4-pyrid­yl)-1,3,4-thia­diazol-2-yl]urea
title_sort 1-(4-methyl­benzo­yl)-3-[5-(4-pyrid­yl)-1,3,4-thia­diazol-2-yl]urea
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959837/
https://www.ncbi.nlm.nih.gov/pubmed/21581236
http://dx.doi.org/10.1107/S1600536808035149
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