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Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide
The syntheses and crystal structures of the isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide, (I), and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide, (II), are described (molecular formula = C(13)H(9)BrN(2)O(5)S in each case). The asymmetric unit of (I) contains two independent molecules...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5347043/ https://www.ncbi.nlm.nih.gov/pubmed/28316798 http://dx.doi.org/10.1107/S2056989017001578 |
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author | Naveen, S. Sudha, A. G. Suresha, E. Lokanath, N. K. Suchetan, P. A. Abdoh, M. |
author_facet | Naveen, S. Sudha, A. G. Suresha, E. Lokanath, N. K. Suchetan, P. A. Abdoh, M. |
author_sort | Naveen, S. |
collection | PubMed |
description | The syntheses and crystal structures of the isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide, (I), and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide, (II), are described (molecular formula = C(13)H(9)BrN(2)O(5)S in each case). The asymmetric unit of (I) contains two independent molecules [(IA) and (IB)], while that of (II) contains one molecule. The benzoic acid aromatic ring of molecule (IA) is disordered due to rotation about the C(ar)—C(=O) bond over two orientations in a 0.525 (9):0.475 (9) ratio. The dihedral angle between the benzene rings is 85.9 (3)° in (IA) and 65.22 (19)° in (IB), while in (II), the corresponding value is 56.7 (7)°. In the crystals of (I) and (II), N—H⋯O, C—H⋯O and C—H⋯π interactions generate three-dimensional networks. |
format | Online Article Text |
id | pubmed-5347043 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-53470432017-03-17 Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide Naveen, S. Sudha, A. G. Suresha, E. Lokanath, N. K. Suchetan, P. A. Abdoh, M. Acta Crystallogr E Crystallogr Commun Research Communications The syntheses and crystal structures of the isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide, (I), and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide, (II), are described (molecular formula = C(13)H(9)BrN(2)O(5)S in each case). The asymmetric unit of (I) contains two independent molecules [(IA) and (IB)], while that of (II) contains one molecule. The benzoic acid aromatic ring of molecule (IA) is disordered due to rotation about the C(ar)—C(=O) bond over two orientations in a 0.525 (9):0.475 (9) ratio. The dihedral angle between the benzene rings is 85.9 (3)° in (IA) and 65.22 (19)° in (IB), while in (II), the corresponding value is 56.7 (7)°. In the crystals of (I) and (II), N—H⋯O, C—H⋯O and C—H⋯π interactions generate three-dimensional networks. International Union of Crystallography 2017-02-03 /pmc/articles/PMC5347043/ /pubmed/28316798 http://dx.doi.org/10.1107/S2056989017001578 Text en © Naveen et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Naveen, S. Sudha, A. G. Suresha, E. Lokanath, N. K. Suchetan, P. A. Abdoh, M. Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide |
title | Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide |
title_full | Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide |
title_fullStr | Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide |
title_full_unstemmed | Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide |
title_short | Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide |
title_sort | crystal structures of isomeric 4-bromo-n-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-n-[(4-nitrophenyl)sulfonyl]benzamide |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5347043/ https://www.ncbi.nlm.nih.gov/pubmed/28316798 http://dx.doi.org/10.1107/S2056989017001578 |
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