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...

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Detalles Bibliográficos
Autores principales: Moreira, Olívia B. O., Freitas, Maria Clara R., Souza, Karynne C., Jordão, Alessandro K., Resende, Jackson A. L. C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Research Communications
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
Descripción
Sumario: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.

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