Cargando…

1-(2-Chloro-5-nitro­phen­yl)-3-(2,2-di­methyl­propion­yl)thio­urea

With the exception of the C atoms of two of the methyl groups of the tert-butyl substituent, all of the non-H atoms of the title compound, C(12)H(14)ClN(3)O(3)S, lie on a mirror plane. The 2-chloro-5-nitro­phenyl and 2,2-dimethyl­propionyl substituents are, respectively, cis and trans relative to th...

Descripción completa

Detalles Bibliográficos
Autores principales: Saeed, Aamer, Khera, Rasheed Ahmad, Simpson, Jim, Stanley, Roderick G.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977335/
https://www.ncbi.nlm.nih.gov/pubmed/21583450
http://dx.doi.org/10.1107/S1600536809024672
_version_ 1782191083349868544
author Saeed, Aamer
Khera, Rasheed Ahmad
Simpson, Jim
Stanley, Roderick G.
author_facet Saeed, Aamer
Khera, Rasheed Ahmad
Simpson, Jim
Stanley, Roderick G.
author_sort Saeed, Aamer
collection PubMed
description With the exception of the C atoms of two of the methyl groups of the tert-butyl substituent, all of the non-H atoms of the title compound, C(12)H(14)ClN(3)O(3)S, lie on a mirror plane. The 2-chloro-5-nitro­phenyl and 2,2-dimethyl­propionyl substituents are, respectively, cis and trans relative to the thio­carbonyl S atom across the two C—N bonds. Intra­molecular N—H⋯O and C—H⋯S hydrogen bonds form S(6) ring motifs, also in the mirror plane. Despite the presence of two N—H subsituents, no inter­molecular hydrogen bonds are observed in the crystal structure. Weak π–π contacts [centroid–centroid distances of 4.2903 (17) Å] involving adjacent aromatic rings link the mol­ecules in a head-to-tail fashion above and below the mol­ecular plane.
format Text
id pubmed-2977335
institution National Center for Biotechnology Information
language English
publishDate 2009
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29773352010-12-30 1-(2-Chloro-5-nitro­phen­yl)-3-(2,2-di­methyl­propion­yl)thio­urea Saeed, Aamer Khera, Rasheed Ahmad Simpson, Jim Stanley, Roderick G. Acta Crystallogr Sect E Struct Rep Online Organic Papers With the exception of the C atoms of two of the methyl groups of the tert-butyl substituent, all of the non-H atoms of the title compound, C(12)H(14)ClN(3)O(3)S, lie on a mirror plane. The 2-chloro-5-nitro­phenyl and 2,2-dimethyl­propionyl substituents are, respectively, cis and trans relative to the thio­carbonyl S atom across the two C—N bonds. Intra­molecular N—H⋯O and C—H⋯S hydrogen bonds form S(6) ring motifs, also in the mirror plane. Despite the presence of two N—H subsituents, no inter­molecular hydrogen bonds are observed in the crystal structure. Weak π–π contacts [centroid–centroid distances of 4.2903 (17) Å] involving adjacent aromatic rings link the mol­ecules in a head-to-tail fashion above and below the mol­ecular plane. International Union of Crystallography 2009-07-01 /pmc/articles/PMC2977335/ /pubmed/21583450 http://dx.doi.org/10.1107/S1600536809024672 Text en © Saeed 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
Saeed, Aamer
Khera, Rasheed Ahmad
Simpson, Jim
Stanley, Roderick G.
1-(2-Chloro-5-nitro­phen­yl)-3-(2,2-di­methyl­propion­yl)thio­urea
title 1-(2-Chloro-5-nitro­phen­yl)-3-(2,2-di­methyl­propion­yl)thio­urea
title_full 1-(2-Chloro-5-nitro­phen­yl)-3-(2,2-di­methyl­propion­yl)thio­urea
title_fullStr 1-(2-Chloro-5-nitro­phen­yl)-3-(2,2-di­methyl­propion­yl)thio­urea
title_full_unstemmed 1-(2-Chloro-5-nitro­phen­yl)-3-(2,2-di­methyl­propion­yl)thio­urea
title_short 1-(2-Chloro-5-nitro­phen­yl)-3-(2,2-di­methyl­propion­yl)thio­urea
title_sort 1-(2-chloro-5-nitro­phen­yl)-3-(2,2-di­methyl­propion­yl)thio­urea
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977335/
https://www.ncbi.nlm.nih.gov/pubmed/21583450
http://dx.doi.org/10.1107/S1600536809024672
work_keys_str_mv AT saeedaamer 12chloro5nitrophenyl322dimethylpropionylthiourea
AT kherarasheedahmad 12chloro5nitrophenyl322dimethylpropionylthiourea
AT simpsonjim 12chloro5nitrophenyl322dimethylpropionylthiourea
AT stanleyroderickg 12chloro5nitrophenyl322dimethylpropionylthiourea