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Polythiazide
The crystal structure of the title compound, C(11)H(13)ClF(3)N(3)O(4)S(3) (systematic name: 6-chloro-2-methyl-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide; CRN: 346–18–9), exhibits a two-dimensional network of hydrogen-bonded mol...
| Autores principales: | , , |
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| Formato: | Texto |
| Lenguaje: | English |
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International Union of Crystallography
2010
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006947/ https://www.ncbi.nlm.nih.gov/pubmed/21587890 http://dx.doi.org/10.1107/S1600536810022105 |
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| author | Gelbrich, Thomas Haddow, Mairi F. Griesser, Ulrich J. |
| author_facet | Gelbrich, Thomas Haddow, Mairi F. Griesser, Ulrich J. |
| author_sort | Gelbrich, Thomas |
| collection | PubMed |
| description | The crystal structure of the title compound, C(11)H(13)ClF(3)N(3)O(4)S(3) (systematic name: 6-chloro-2-methyl-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide; CRN: 346–18–9), exhibits a two-dimensional network of hydrogen-bonded molecules parallel to ([Image: see text]01). The NH and NH(2) groups act as donor sites and the sulfonyl O atoms as acceptor sites in N—H⋯O hydrogen bonds, and a C—H⋯O interaction also occurs. The thiadiazine ring adopts an envelope conformation with the N atom bonded to sulfur at the tip of the flap, and the methyl substituent is in an axial position. |
| format | Text |
| id | pubmed-3006947 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2010 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-30069472010-12-30 Polythiazide Gelbrich, Thomas Haddow, Mairi F. Griesser, Ulrich J. Acta Crystallogr Sect E Struct Rep Online Organic Papers The crystal structure of the title compound, C(11)H(13)ClF(3)N(3)O(4)S(3) (systematic name: 6-chloro-2-methyl-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide; CRN: 346–18–9), exhibits a two-dimensional network of hydrogen-bonded molecules parallel to ([Image: see text]01). The NH and NH(2) groups act as donor sites and the sulfonyl O atoms as acceptor sites in N—H⋯O hydrogen bonds, and a C—H⋯O interaction also occurs. The thiadiazine ring adopts an envelope conformation with the N atom bonded to sulfur at the tip of the flap, and the methyl substituent is in an axial position. International Union of Crystallography 2010-06-16 /pmc/articles/PMC3006947/ /pubmed/21587890 http://dx.doi.org/10.1107/S1600536810022105 Text en © Gelbrich et al. 2010 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 Gelbrich, Thomas Haddow, Mairi F. Griesser, Ulrich J. Polythiazide |
| title | Polythiazide |
| title_full | Polythiazide |
| title_fullStr | Polythiazide |
| title_full_unstemmed | Polythiazide |
| title_short | Polythiazide |
| title_sort | polythiazide |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006947/ https://www.ncbi.nlm.nih.gov/pubmed/21587890 http://dx.doi.org/10.1107/S1600536810022105 |
| work_keys_str_mv | AT gelbrichthomas polythiazide AT haddowmairif polythiazide AT griesserulrichj polythiazide |