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Methyl 4-hydroxy-2-isopropyl-1,1-dioxo-2H-1,2-benzothiazine-3-carboxylate
In the crystal structure of the title molecule, C(13)H(15)NO(5)S, the S and N atoms of the thiazine ring exihibit the maximum deviations from the least-squares plane of 0.3008 (6) and 0.3280 (7) Å, respectively. The ring therefore adopts a half chair conformation. The thiazine ring is twisted by...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2011
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3152111/ https://www.ncbi.nlm.nih.gov/pubmed/21837192 http://dx.doi.org/10.1107/S1600536811024573 |
| _version_ | 1782209729885372416 |
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| author | Arshad, Muhammad Nadeem Khan, Islam Ullah Zia-ur-Rehman, Muhammad Rafique, H. M. Holman, K. Travis |
| author_facet | Arshad, Muhammad Nadeem Khan, Islam Ullah Zia-ur-Rehman, Muhammad Rafique, H. M. Holman, K. Travis |
| author_sort | Arshad, Muhammad Nadeem |
| collection | PubMed |
| description | In the crystal structure of the title molecule, C(13)H(15)NO(5)S, the S and N atoms of the thiazine ring exihibit the maximum deviations from the least-squares plane of 0.3008 (6) and 0.3280 (7) Å, respectively. The ring therefore adopts a half chair conformation. The thiazine ring is twisted by an angle of 13.29 (7)° with respect to the aromatic ring. The isopropyl substituent is oriented at a dihedral angle of 53.2 (12)° with respect to the thiazine ring. An intramolecular O—H⋯O hydrogen bond occurs. Intermolecular hydrogen bonding is observed in the crystal structure. |
| format | Online Article Text |
| id | pubmed-3152111 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2011 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-31521112011-08-11 Methyl 4-hydroxy-2-isopropyl-1,1-dioxo-2H-1,2-benzothiazine-3-carboxylate Arshad, Muhammad Nadeem Khan, Islam Ullah Zia-ur-Rehman, Muhammad Rafique, H. M. Holman, K. Travis Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title molecule, C(13)H(15)NO(5)S, the S and N atoms of the thiazine ring exihibit the maximum deviations from the least-squares plane of 0.3008 (6) and 0.3280 (7) Å, respectively. The ring therefore adopts a half chair conformation. The thiazine ring is twisted by an angle of 13.29 (7)° with respect to the aromatic ring. The isopropyl substituent is oriented at a dihedral angle of 53.2 (12)° with respect to the thiazine ring. An intramolecular O—H⋯O hydrogen bond occurs. Intermolecular hydrogen bonding is observed in the crystal structure. International Union of Crystallography 2011-06-25 /pmc/articles/PMC3152111/ /pubmed/21837192 http://dx.doi.org/10.1107/S1600536811024573 Text en © Arshad et al. 2011 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 Khan, Islam Ullah Zia-ur-Rehman, Muhammad Rafique, H. M. Holman, K. Travis Methyl 4-hydroxy-2-isopropyl-1,1-dioxo-2H-1,2-benzothiazine-3-carboxylate |
| title | Methyl 4-hydroxy-2-isopropyl-1,1-dioxo-2H-1,2-benzothiazine-3-carboxylate |
| title_full | Methyl 4-hydroxy-2-isopropyl-1,1-dioxo-2H-1,2-benzothiazine-3-carboxylate |
| title_fullStr | Methyl 4-hydroxy-2-isopropyl-1,1-dioxo-2H-1,2-benzothiazine-3-carboxylate |
| title_full_unstemmed | Methyl 4-hydroxy-2-isopropyl-1,1-dioxo-2H-1,2-benzothiazine-3-carboxylate |
| title_short | Methyl 4-hydroxy-2-isopropyl-1,1-dioxo-2H-1,2-benzothiazine-3-carboxylate |
| title_sort | methyl 4-hydroxy-2-isopropyl-1,1-dioxo-2h-1,2-benzothiazine-3-carboxylate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3152111/ https://www.ncbi.nlm.nih.gov/pubmed/21837192 http://dx.doi.org/10.1107/S1600536811024573 |
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