N-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-4-methylbenzenesulfonamide
In the title compound, C22H23BrN4O4S2, 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 co...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2012-08-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812033375 |
| _version_ | 1798025901983662080 |
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| author | Rajni Kant Vivek K. Gupta Kamini Kapoor Mohan Kumar L. Mallesha M. A. Sridhar |
| author_facet | Rajni Kant Vivek K. Gupta Kamini Kapoor Mohan Kumar L. Mallesha M. A. Sridhar |
| author_sort | Rajni Kant |
| collection | DOAJ |
| description | In the title compound, C22H23BrN4O4S2, 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. |
| first_indexed | 2024-04-11T18:26:21Z |
| format | Article |
| id | doaj.art-588c08bb82e64b799071958ad88c74a2 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-04-11T18:26:21Z |
| publishDate | 2012-08-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-588c08bb82e64b799071958ad88c74a22022-12-22T04:09:36ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-08-01688o2590o259110.1107/S1600536812033375N-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-4-methylbenzenesulfonamideRajni KantVivek K. GuptaKamini KapoorMohan KumarL. MalleshaM. A. SridharIn the title compound, C22H23BrN4O4S2, 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.http://scripts.iucr.org/cgi-bin/paper?S1600536812033375 |
| spellingShingle | Rajni Kant Vivek K. Gupta Kamini Kapoor Mohan Kumar L. Mallesha M. A. Sridhar N-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)-4-methylbenzenesulfonamide Acta Crystallographica Section E |
| 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 |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536812033375 |
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