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2-Methylcarbamoyl-4-{4-[3-(trifluoromethyl)benzamido]phenoxy}pyridinium 4-methylbenzenesulfonate monohydrate
The asymmetric unit of the title compound, C(21)H(17)F(3)N(3)O(3) (+)·C(7)H(7)O(3)S(−)·H(2)O, contains two formula units. In one of the cations, the pyridinium and trifluoromethyl benzene rings form dihedral angles of 87.42 (8) and 45.92 (8)°, respectively, with the central benzene ring [79.56 (8)...
| Autores principales: | , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2010
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979972/ https://www.ncbi.nlm.nih.gov/pubmed/21579797 http://dx.doi.org/10.1107/S1600536809055603 |
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| author | Wang, Zhao Meng, Na-Na Huang, Ting-Ting Zhang, Yong-Kui Yu, Luo-Ting |
| author_facet | Wang, Zhao Meng, Na-Na Huang, Ting-Ting Zhang, Yong-Kui Yu, Luo-Ting |
| author_sort | Wang, Zhao |
| collection | PubMed |
| description | The asymmetric unit of the title compound, C(21)H(17)F(3)N(3)O(3) (+)·C(7)H(7)O(3)S(−)·H(2)O, contains two formula units. In one of the cations, the pyridinium and trifluoromethyl benzene rings form dihedral angles of 87.42 (8) and 45.92 (8)°, respectively, with the central benzene ring [79.56 (8) and 43.52 (8)° in the other cation]. In the crystal structure, N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds link the ions and water molecules, forming a three-dimensional network. |
| format | Text |
| id | pubmed-2979972 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2010 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-29799722010-12-30 2-Methylcarbamoyl-4-{4-[3-(trifluoromethyl)benzamido]phenoxy}pyridinium 4-methylbenzenesulfonate monohydrate Wang, Zhao Meng, Na-Na Huang, Ting-Ting Zhang, Yong-Kui Yu, Luo-Ting Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(21)H(17)F(3)N(3)O(3) (+)·C(7)H(7)O(3)S(−)·H(2)O, contains two formula units. In one of the cations, the pyridinium and trifluoromethyl benzene rings form dihedral angles of 87.42 (8) and 45.92 (8)°, respectively, with the central benzene ring [79.56 (8) and 43.52 (8)° in the other cation]. In the crystal structure, N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds link the ions and water molecules, forming a three-dimensional network. International Union of Crystallography 2010-01-16 /pmc/articles/PMC2979972/ /pubmed/21579797 http://dx.doi.org/10.1107/S1600536809055603 Text en © Wang 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 Wang, Zhao Meng, Na-Na Huang, Ting-Ting Zhang, Yong-Kui Yu, Luo-Ting 2-Methylcarbamoyl-4-{4-[3-(trifluoromethyl)benzamido]phenoxy}pyridinium 4-methylbenzenesulfonate monohydrate |
| title | 2-Methylcarbamoyl-4-{4-[3-(trifluoromethyl)benzamido]phenoxy}pyridinium 4-methylbenzenesulfonate monohydrate |
| title_full | 2-Methylcarbamoyl-4-{4-[3-(trifluoromethyl)benzamido]phenoxy}pyridinium 4-methylbenzenesulfonate monohydrate |
| title_fullStr | 2-Methylcarbamoyl-4-{4-[3-(trifluoromethyl)benzamido]phenoxy}pyridinium 4-methylbenzenesulfonate monohydrate |
| title_full_unstemmed | 2-Methylcarbamoyl-4-{4-[3-(trifluoromethyl)benzamido]phenoxy}pyridinium 4-methylbenzenesulfonate monohydrate |
| title_short | 2-Methylcarbamoyl-4-{4-[3-(trifluoromethyl)benzamido]phenoxy}pyridinium 4-methylbenzenesulfonate monohydrate |
| title_sort | 2-methylcarbamoyl-4-{4-[3-(trifluoromethyl)benzamido]phenoxy}pyridinium 4-methylbenzenesulfonate monohydrate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979972/ https://www.ncbi.nlm.nih.gov/pubmed/21579797 http://dx.doi.org/10.1107/S1600536809055603 |
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