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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...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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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 |
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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 |
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