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Methyl 3-hydroxy-4-oxo-3,4-dihydro-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide monohydrate
In the molecule of the title compound, C(10)H(9)NO(6)S·H(2)O, the benzothiazine ring adopts an envelope conformation. An intramolecular N—H⋯O hydrogen bond results in the formation of a nonplanar five-membered ring which has a twisted conformation. In the crystal structure, intermolecular N—H⋯O,...
| Autores principales: | , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2008
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959447/ https://www.ncbi.nlm.nih.gov/pubmed/21201237 http://dx.doi.org/10.1107/S1600536808030948 |
| _version_ | 1782188502114369536 |
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| author | Arshad, Muhammad Nadeem Tahir, M. Nawaz Khan, Islam Ullah Shafiq, Muhammad Siddiqui, Waseeq Ahmad |
| author_facet | Arshad, Muhammad Nadeem Tahir, M. Nawaz Khan, Islam Ullah Shafiq, Muhammad Siddiqui, Waseeq Ahmad |
| author_sort | Arshad, Muhammad Nadeem |
| collection | PubMed |
| description | In the molecule of the title compound, C(10)H(9)NO(6)S·H(2)O, the benzothiazine ring adopts an envelope conformation. An intramolecular N—H⋯O hydrogen bond results in the formation of a nonplanar five-membered ring which has a twisted conformation. In the crystal structure, intermolecular N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds link the molecules to form a three-dimensional network. There is a π–π contact between the benzene rings [centroid–centroid distance = 3.972 (2) Å]. |
| format | Text |
| id | pubmed-2959447 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2008 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-29594472010-12-30 Methyl 3-hydroxy-4-oxo-3,4-dihydro-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide monohydrate Arshad, Muhammad Nadeem Tahir, M. Nawaz Khan, Islam Ullah Shafiq, Muhammad Siddiqui, Waseeq Ahmad Acta Crystallogr Sect E Struct Rep Online Organic Papers In the molecule of the title compound, C(10)H(9)NO(6)S·H(2)O, the benzothiazine ring adopts an envelope conformation. An intramolecular N—H⋯O hydrogen bond results in the formation of a nonplanar five-membered ring which has a twisted conformation. In the crystal structure, intermolecular N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds link the molecules to form a three-dimensional network. There is a π–π contact between the benzene rings [centroid–centroid distance = 3.972 (2) Å]. International Union of Crystallography 2008-09-30 /pmc/articles/PMC2959447/ /pubmed/21201237 http://dx.doi.org/10.1107/S1600536808030948 Text en © Arshad et al. 2008 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 Arshad, Muhammad Nadeem Tahir, M. Nawaz Khan, Islam Ullah Shafiq, Muhammad Siddiqui, Waseeq Ahmad Methyl 3-hydroxy-4-oxo-3,4-dihydro-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide monohydrate |
| title | Methyl 3-hydroxy-4-oxo-3,4-dihydro-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide monohydrate |
| title_full | Methyl 3-hydroxy-4-oxo-3,4-dihydro-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide monohydrate |
| title_fullStr | Methyl 3-hydroxy-4-oxo-3,4-dihydro-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide monohydrate |
| title_full_unstemmed | Methyl 3-hydroxy-4-oxo-3,4-dihydro-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide monohydrate |
| title_short | Methyl 3-hydroxy-4-oxo-3,4-dihydro-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide monohydrate |
| title_sort | methyl 3-hydroxy-4-oxo-3,4-dihydro-2h-1,2-benzothiazine-3-carboxylate 1,1-dioxide monohydrate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959447/ https://www.ncbi.nlm.nih.gov/pubmed/21201237 http://dx.doi.org/10.1107/S1600536808030948 |
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