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3-Methylsulfanyl-5-phenyl-4H-1,2,4-triazol-4-amine–water (6/1)
In the title compound, 6C(9)H(10)N(4)S·H(2)O, the dihedral angle between the five-membered triazole ring and the phenyl ring is 44.33 (16)°. The solvent water molecule is disordered about a special position with [Image: see text] symmetry and its occupancy cannot be greater than 0.1667. The crystal...
| Autores principales: | , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2009
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969018/ https://www.ncbi.nlm.nih.gov/pubmed/21582420 http://dx.doi.org/10.1107/S1600536808041056 |
| _version_ | 1782190039904550912 |
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| author | Wu, Deng-Ze Liu, Miao-Chang Wu, Hua-Yue Huang, Xiao-Bo Li, Jian-Jun |
| author_facet | Wu, Deng-Ze Liu, Miao-Chang Wu, Hua-Yue Huang, Xiao-Bo Li, Jian-Jun |
| author_sort | Wu, Deng-Ze |
| collection | PubMed |
| description | In the title compound, 6C(9)H(10)N(4)S·H(2)O, the dihedral angle between the five-membered triazole ring and the phenyl ring is 44.33 (16)°. The solvent water molecule is disordered about a special position with [Image: see text] symmetry and its occupancy cannot be greater than 0.1667. The crystal structure is stabilized by intermolecular N—H⋯N and C–H⋯N hydrogen bonds. |
| format | Text |
| id | pubmed-2969018 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2009 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-29690182010-12-30 3-Methylsulfanyl-5-phenyl-4H-1,2,4-triazol-4-amine–water (6/1) Wu, Deng-Ze Liu, Miao-Chang Wu, Hua-Yue Huang, Xiao-Bo Li, Jian-Jun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, 6C(9)H(10)N(4)S·H(2)O, the dihedral angle between the five-membered triazole ring and the phenyl ring is 44.33 (16)°. The solvent water molecule is disordered about a special position with [Image: see text] symmetry and its occupancy cannot be greater than 0.1667. The crystal structure is stabilized by intermolecular N—H⋯N and C–H⋯N hydrogen bonds. International Union of Crystallography 2009-03-06 /pmc/articles/PMC2969018/ /pubmed/21582420 http://dx.doi.org/10.1107/S1600536808041056 Text en © Wu et al. 2009 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 Wu, Deng-Ze Liu, Miao-Chang Wu, Hua-Yue Huang, Xiao-Bo Li, Jian-Jun 3-Methylsulfanyl-5-phenyl-4H-1,2,4-triazol-4-amine–water (6/1) |
| title | 3-Methylsulfanyl-5-phenyl-4H-1,2,4-triazol-4-amine–water (6/1) |
| title_full | 3-Methylsulfanyl-5-phenyl-4H-1,2,4-triazol-4-amine–water (6/1) |
| title_fullStr | 3-Methylsulfanyl-5-phenyl-4H-1,2,4-triazol-4-amine–water (6/1) |
| title_full_unstemmed | 3-Methylsulfanyl-5-phenyl-4H-1,2,4-triazol-4-amine–water (6/1) |
| title_short | 3-Methylsulfanyl-5-phenyl-4H-1,2,4-triazol-4-amine–water (6/1) |
| title_sort | 3-methylsulfanyl-5-phenyl-4h-1,2,4-triazol-4-amine–water (6/1) |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969018/ https://www.ncbi.nlm.nih.gov/pubmed/21582420 http://dx.doi.org/10.1107/S1600536808041056 |
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