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N-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-4-methylbenzenesulfonamide
In the title compound, C(22)H(23)BrN(4)O(4)S(2), the benzene rings bridged by the sulfonamide group are tilted relative to each other by 68.9 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 69.7 (1)°. The molecular conformation is stabilized by a weak intramo...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3415028/ https://www.ncbi.nlm.nih.gov/pubmed/22905015 http://dx.doi.org/10.1107/S1600536812033375 |
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author | Kant, Rajni Gupta, Vivek K. Kapoor, Kamini Kumar, Mohan Mallesha, L. Sridhar, M. A. |
author_facet | Kant, Rajni Gupta, Vivek K. Kapoor, Kamini Kumar, Mohan Mallesha, L. Sridhar, M. A. |
author_sort | Kant, Rajni |
collection | PubMed |
description | In the title compound, C(22)H(23)BrN(4)O(4)S(2), the benzene rings bridged by the sulfonamide group are tilted relative to each other by 68.9 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 69.7 (1)°. The molecular conformation is stabilized by a weak intramolecular π–π stacking interaction between the pyrimidine and the 4-methylbenzene rings [centroid–centroid distance = 3.934 (2) Å]. The morpholine ring adopts a chair conformation and is disordered over two positions with an occupancy ratio of 0.853 (6):0.147 (6). In the crystal, molecules are linked by N—H⋯O hydrogen bonds into chains extending along the a axis and further, through C—H⋯N and C—H⋯O interactions, into a three-dimensional supramolecular structure. |
format | Online Article Text |
id | pubmed-3415028 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34150282012-08-17 N-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-4-methylbenzenesulfonamide Kant, Rajni Gupta, Vivek K. Kapoor, Kamini Kumar, Mohan Mallesha, L. Sridhar, M. A. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(22)H(23)BrN(4)O(4)S(2), the benzene rings bridged by the sulfonamide group are tilted relative to each other by 68.9 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 69.7 (1)°. The molecular conformation is stabilized by a weak intramolecular π–π stacking interaction between the pyrimidine and the 4-methylbenzene rings [centroid–centroid distance = 3.934 (2) Å]. The morpholine ring adopts a chair conformation and is disordered over two positions with an occupancy ratio of 0.853 (6):0.147 (6). In the crystal, molecules are linked by N—H⋯O hydrogen bonds into chains extending along the a axis and further, through C—H⋯N and C—H⋯O interactions, into a three-dimensional supramolecular structure. International Union of Crystallography 2012-07-28 /pmc/articles/PMC3415028/ /pubmed/22905015 http://dx.doi.org/10.1107/S1600536812033375 Text en © Kant 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 Kant, Rajni Gupta, Vivek K. Kapoor, Kamini Kumar, Mohan Mallesha, L. Sridhar, M. A. N-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-4-methylbenzenesulfonamide |
title |
N-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-4-methylbenzenesulfonamide |
title_full |
N-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-4-methylbenzenesulfonamide |
title_fullStr |
N-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-4-methylbenzenesulfonamide |
title_full_unstemmed |
N-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-4-methylbenzenesulfonamide |
title_short |
N-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-4-methylbenzenesulfonamide |
title_sort | n-(2-{[5-bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-4-methylbenzenesulfonamide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3415028/ https://www.ncbi.nlm.nih.gov/pubmed/22905015 http://dx.doi.org/10.1107/S1600536812033375 |
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