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Crystal structure of 1-anilino-5-methyl-1H-1,2,3-triazole-4-carboxylic acid monohydrate
In the molecular structure of the title compound, C(10)H(10)N(4)O(2)·H(2)O, the angle between the triazole and arene rings is 87.39 (5)°. The water of crystallization connects the molecules in the crystal packing. The crystal structure exhibits N—H⋯O, O—H⋯O and O—H⋯N interactions, resulting in th...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6658979/ https://www.ncbi.nlm.nih.gov/pubmed/31391956 http://dx.doi.org/10.1107/S2056989019005711 |
| _version_ | 1783439049059467264 |
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| author | Moreira, Olívia B. O. Freitas, Maria Clara R. Souza, Karynne C. Jordão, Alessandro K. Resende, Jackson A. L. C. |
| author_facet | Moreira, Olívia B. O. Freitas, Maria Clara R. Souza, Karynne C. Jordão, Alessandro K. Resende, Jackson A. L. C. |
| author_sort | Moreira, Olívia B. O. |
| collection | PubMed |
| description | In the molecular structure of the title compound, C(10)H(10)N(4)O(2)·H(2)O, the angle between the triazole and arene rings is 87.39 (5)°. The water of crystallization connects the molecules in the crystal packing. The crystal structure exhibits N—H⋯O, O—H⋯O and O—H⋯N interactions, resulting in the formation of a three-dimensional framework. The intermolecular interactions were identified and quantified using Hirshfeld surface analysis. |
| format | Online Article Text |
| id | pubmed-6658979 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2019 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-66589792019-08-07 Crystal structure of 1-anilino-5-methyl-1H-1,2,3-triazole-4-carboxylic acid monohydrate Moreira, Olívia B. O. Freitas, Maria Clara R. Souza, Karynne C. Jordão, Alessandro K. Resende, Jackson A. L. C. Acta Crystallogr E Crystallogr Commun Research Communications In the molecular structure of the title compound, C(10)H(10)N(4)O(2)·H(2)O, the angle between the triazole and arene rings is 87.39 (5)°. The water of crystallization connects the molecules in the crystal packing. The crystal structure exhibits N—H⋯O, O—H⋯O and O—H⋯N interactions, resulting in the formation of a three-dimensional framework. The intermolecular interactions were identified and quantified using Hirshfeld surface analysis. International Union of Crystallography 2019-05-03 /pmc/articles/PMC6658979/ /pubmed/31391956 http://dx.doi.org/10.1107/S2056989019005711 Text en © Moreira et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/ |
| spellingShingle | Research Communications Moreira, Olívia B. O. Freitas, Maria Clara R. Souza, Karynne C. Jordão, Alessandro K. Resende, Jackson A. L. C. Crystal structure of 1-anilino-5-methyl-1H-1,2,3-triazole-4-carboxylic acid monohydrate |
| title | Crystal structure of 1-anilino-5-methyl-1H-1,2,3-triazole-4-carboxylic acid monohydrate |
| title_full | Crystal structure of 1-anilino-5-methyl-1H-1,2,3-triazole-4-carboxylic acid monohydrate |
| title_fullStr | Crystal structure of 1-anilino-5-methyl-1H-1,2,3-triazole-4-carboxylic acid monohydrate |
| title_full_unstemmed | Crystal structure of 1-anilino-5-methyl-1H-1,2,3-triazole-4-carboxylic acid monohydrate |
| title_short | Crystal structure of 1-anilino-5-methyl-1H-1,2,3-triazole-4-carboxylic acid monohydrate |
| title_sort | crystal structure of 1-anilino-5-methyl-1h-1,2,3-triazole-4-carboxylic acid monohydrate |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6658979/ https://www.ncbi.nlm.nih.gov/pubmed/31391956 http://dx.doi.org/10.1107/S2056989019005711 |
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