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Crystal structure of 3-benzyl-1-[(cyclohexylidene)amino]thiourea
The conformation of the title compound, C(14)H(19)N(3)S, is partially determined by an intramolecular N—H⋯N hydrogen-bond interaction, although the N—H⋯N angle of 108° is quite small. The cyclohexylidene ring has a chair conformation and its mean plane is inclined to the benzene ring by 46.30 (...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719888/ https://www.ncbi.nlm.nih.gov/pubmed/26870535 http://dx.doi.org/10.1107/S205698901502112X |
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author | Mohamed, Shaaban K. Mague, Joel T. Akkurt, Mehmet Hassan, Alaa A. Abdel-Aziz, Ahmed T. Albayati, Mustafa R. |
author_facet | Mohamed, Shaaban K. Mague, Joel T. Akkurt, Mehmet Hassan, Alaa A. Abdel-Aziz, Ahmed T. Albayati, Mustafa R. |
author_sort | Mohamed, Shaaban K. |
collection | PubMed |
description | The conformation of the title compound, C(14)H(19)N(3)S, is partially determined by an intramolecular N—H⋯N hydrogen-bond interaction, although the N—H⋯N angle of 108° is quite small. The cyclohexylidene ring has a chair conformation and its mean plane is inclined to the benzene ring by 46.30 (8)°. In the crystal, molecules are linked by pairs of N—H⋯S hydrogen bonds, forming inversion dimers, with an R (2) (2)(8) ring motif. The dimers are reinforced by pairs of C—H⋯S hydrogen bonds, and are linked by further weak C—H⋯S hydrogen bonds, forming chains propagating along [100]. |
format | Online Article Text |
id | pubmed-4719888 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47198882016-02-11 Crystal structure of 3-benzyl-1-[(cyclohexylidene)amino]thiourea Mohamed, Shaaban K. Mague, Joel T. Akkurt, Mehmet Hassan, Alaa A. Abdel-Aziz, Ahmed T. Albayati, Mustafa R. Acta Crystallogr E Crystallogr Commun Data Reports The conformation of the title compound, C(14)H(19)N(3)S, is partially determined by an intramolecular N—H⋯N hydrogen-bond interaction, although the N—H⋯N angle of 108° is quite small. The cyclohexylidene ring has a chair conformation and its mean plane is inclined to the benzene ring by 46.30 (8)°. In the crystal, molecules are linked by pairs of N—H⋯S hydrogen bonds, forming inversion dimers, with an R (2) (2)(8) ring motif. The dimers are reinforced by pairs of C—H⋯S hydrogen bonds, and are linked by further weak C—H⋯S hydrogen bonds, forming chains propagating along [100]. International Union of Crystallography 2015-11-14 /pmc/articles/PMC4719888/ /pubmed/26870535 http://dx.doi.org/10.1107/S205698901502112X Text en © Mohamed et al. 2015 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 | Data Reports Mohamed, Shaaban K. Mague, Joel T. Akkurt, Mehmet Hassan, Alaa A. Abdel-Aziz, Ahmed T. Albayati, Mustafa R. Crystal structure of 3-benzyl-1-[(cyclohexylidene)amino]thiourea |
title | Crystal structure of 3-benzyl-1-[(cyclohexylidene)amino]thiourea |
title_full | Crystal structure of 3-benzyl-1-[(cyclohexylidene)amino]thiourea |
title_fullStr | Crystal structure of 3-benzyl-1-[(cyclohexylidene)amino]thiourea |
title_full_unstemmed | Crystal structure of 3-benzyl-1-[(cyclohexylidene)amino]thiourea |
title_short | Crystal structure of 3-benzyl-1-[(cyclohexylidene)amino]thiourea |
title_sort | crystal structure of 3-benzyl-1-[(cyclohexylidene)amino]thiourea |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719888/ https://www.ncbi.nlm.nih.gov/pubmed/26870535 http://dx.doi.org/10.1107/S205698901502112X |
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