Cargando…

4-Benzyl-N-methyl­piperazine-1-carbothio­amide

The asymmetric unit in the title thio­urea derivative, C(13)H(19)N(3)S, comprises three independent mol­ecules (A, B and C). The thio­urea groups are superimposable for the three mol­ecules, but there are significant conformational differences. Mol­ecules A and B are approximate mirror images of eac...

Descripción completa

Detalles Bibliográficos
Autores principales: Alanazi, Amer M., El-Emam, Ali A., El-Brollosy, Nasser R., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295486/
https://www.ncbi.nlm.nih.gov/pubmed/22412597
http://dx.doi.org/10.1107/S1600536812005685
_version_ 1782225588800454656
author Alanazi, Amer M.
El-Emam, Ali A.
El-Brollosy, Nasser R.
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet Alanazi, Amer M.
El-Emam, Ali A.
El-Brollosy, Nasser R.
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort Alanazi, Amer M.
collection PubMed
description The asymmetric unit in the title thio­urea derivative, C(13)H(19)N(3)S, comprises three independent mol­ecules (A, B and C). The thio­urea groups are superimposable for the three mol­ecules, but there are significant conformational differences. Mol­ecules A and B are approximate mirror images of each other, and mol­ecule C has an inter­mediate conformation. The dihedral angles between the thio­urea groups and the phenyl rings are 52.10 (5), 63.29 (5) and 66.46 (6)° in mol­ecules A, B and C, respectively. Each independent mol­ecule self-associates into a supra­molecular chain along [100] via N—H⋯S hydrogen bonds. Mol­ecules of A and B assemble into layers four mol­ecules thick in the ac plane via C—H⋯S and C—H⋯π inter­actions. Mol­ecules of C self-assemble into layers in the ac plane via C—H⋯S inter­actions. The layers stack along the b axis with no specific inter­actions between them.
format Online
Article
Text
id pubmed-3295486
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-32954862012-03-12 4-Benzyl-N-methyl­piperazine-1-carbothio­amide Alanazi, Amer M. El-Emam, Ali A. El-Brollosy, Nasser R. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit in the title thio­urea derivative, C(13)H(19)N(3)S, comprises three independent mol­ecules (A, B and C). The thio­urea groups are superimposable for the three mol­ecules, but there are significant conformational differences. Mol­ecules A and B are approximate mirror images of each other, and mol­ecule C has an inter­mediate conformation. The dihedral angles between the thio­urea groups and the phenyl rings are 52.10 (5), 63.29 (5) and 66.46 (6)° in mol­ecules A, B and C, respectively. Each independent mol­ecule self-associates into a supra­molecular chain along [100] via N—H⋯S hydrogen bonds. Mol­ecules of A and B assemble into layers four mol­ecules thick in the ac plane via C—H⋯S and C—H⋯π inter­actions. Mol­ecules of C self-assemble into layers in the ac plane via C—H⋯S inter­actions. The layers stack along the b axis with no specific inter­actions between them. International Union of Crystallography 2012-02-17 /pmc/articles/PMC3295486/ /pubmed/22412597 http://dx.doi.org/10.1107/S1600536812005685 Text en © Alanazi et al. 2012 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
Alanazi, Amer M.
El-Emam, Ali A.
El-Brollosy, Nasser R.
Ng, Seik Weng
Tiekink, Edward R. T.
4-Benzyl-N-methyl­piperazine-1-carbothio­amide
title 4-Benzyl-N-methyl­piperazine-1-carbothio­amide
title_full 4-Benzyl-N-methyl­piperazine-1-carbothio­amide
title_fullStr 4-Benzyl-N-methyl­piperazine-1-carbothio­amide
title_full_unstemmed 4-Benzyl-N-methyl­piperazine-1-carbothio­amide
title_short 4-Benzyl-N-methyl­piperazine-1-carbothio­amide
title_sort 4-benzyl-n-methyl­piperazine-1-carbothio­amide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295486/
https://www.ncbi.nlm.nih.gov/pubmed/22412597
http://dx.doi.org/10.1107/S1600536812005685
work_keys_str_mv AT alanaziamerm 4benzylnmethylpiperazine1carbothioamide
AT elemamalia 4benzylnmethylpiperazine1carbothioamide
AT elbrollosynasserr 4benzylnmethylpiperazine1carbothioamide
AT ngseikweng 4benzylnmethylpiperazine1carbothioamide
AT tiekinkedwardrt 4benzylnmethylpiperazine1carbothioamide