1,3-Bis(3-methyl­phen­yl)thio­urea: triclinic polymorph

The title compound, C(15)H(16)N(2)S, crystallizes with two molecules in the asymmetric unit. The crystallographic behaviour of the two isomers is different. The mol­ecules are dimerized, forming an R (2) (2)(8) ring motif due to inter­molecular N—H⋯S hydrogen bonds. C—H⋯S hydrogen bonds form R (2) (...

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Detalles Bibliográficos
Autores principales: Shahwar, Durre, Tahir, M. Nawaz, Khan, Muhammad Akmal, Ahmad, Naeem, Furqan, Muhammad
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968578/
https://www.ncbi.nlm.nih.gov/pubmed/21582151
http://dx.doi.org/10.1107/S1600536809003146
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author Shahwar, Durre
Tahir, M. Nawaz
Khan, Muhammad Akmal
Ahmad, Naeem
Furqan, Muhammad
author_facet Shahwar, Durre
Tahir, M. Nawaz
Khan, Muhammad Akmal
Ahmad, Naeem
Furqan, Muhammad
author_sort Shahwar, Durre
collection PubMed
description The title compound, C(15)H(16)N(2)S, crystallizes with two molecules in the asymmetric unit. The crystallographic behaviour of the two isomers is different. The mol­ecules are dimerized, forming an R (2) (2)(8) ring motif due to inter­molecular N—H⋯S hydrogen bonds. C—H⋯S hydrogen bonds form R (2) (2)(12) ring motifs. In one molecule, the dihedral angle between the benzene rings is 62.54 (6)°, whereas in the other it is 79.54 (6)°. The H atoms of one of the methyl groups in each molecule are disordered over two sites, with occupancy ratios of 0.52 (3):0.48 (3) and 0.60 (3):0.40 (3).
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spelling pubmed-29685782010-12-30 1,3-Bis(3-methyl­phen­yl)thio­urea: triclinic polymorph Shahwar, Durre Tahir, M. Nawaz Khan, Muhammad Akmal Ahmad, Naeem Furqan, Muhammad Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(15)H(16)N(2)S, crystallizes with two molecules in the asymmetric unit. The crystallographic behaviour of the two isomers is different. The mol­ecules are dimerized, forming an R (2) (2)(8) ring motif due to inter­molecular N—H⋯S hydrogen bonds. C—H⋯S hydrogen bonds form R (2) (2)(12) ring motifs. In one molecule, the dihedral angle between the benzene rings is 62.54 (6)°, whereas in the other it is 79.54 (6)°. The H atoms of one of the methyl groups in each molecule are disordered over two sites, with occupancy ratios of 0.52 (3):0.48 (3) and 0.60 (3):0.40 (3). International Union of Crystallography 2009-02-06 /pmc/articles/PMC2968578/ /pubmed/21582151 http://dx.doi.org/10.1107/S1600536809003146 Text en © Shahwar et al. 2009 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
Shahwar, Durre
Tahir, M. Nawaz
Khan, Muhammad Akmal
Ahmad, Naeem
Furqan, Muhammad
1,3-Bis(3-methyl­phen­yl)thio­urea: triclinic polymorph
title 1,3-Bis(3-methyl­phen­yl)thio­urea: triclinic polymorph
title_full 1,3-Bis(3-methyl­phen­yl)thio­urea: triclinic polymorph
title_fullStr 1,3-Bis(3-methyl­phen­yl)thio­urea: triclinic polymorph
title_full_unstemmed 1,3-Bis(3-methyl­phen­yl)thio­urea: triclinic polymorph
title_short 1,3-Bis(3-methyl­phen­yl)thio­urea: triclinic polymorph
title_sort 1,3-bis(3-methyl­phen­yl)thio­urea: triclinic polymorph
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968578/
https://www.ncbi.nlm.nih.gov/pubmed/21582151
http://dx.doi.org/10.1107/S1600536809003146
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