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Crystal structure of 1-anilino-5-methyl-1H-1,2,3-triazole-4-carb-oxy-lic acid monohydrate.

ABSTRACT: In the mol-ecular structure of the title compound, C₁₀H₁₀N₄O₂·H₂O, the angle between the triazole and arene rings is 87.39 (5)°. The water of crystallization connects the mol-ecules in the crystal packing. The crystal structure exhibits N-H⋯O, O-H⋯O and O-H⋯N inter-actions, resulting in the formation of a three-dimensional framework. The inter-molecular inter-actions were identified and qu-anti-fied using Hirshfeld surface analysis.

SUBMITTER: Moreira OBO

PROVIDER: S-EPMC6658979 | biostudies-literature | 2019 Jun

REPOSITORIES: biostudies-literature

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Crystal structure of 1-anilino-5-methyl-1H-1,2,3-triazole-4-carb-oxy-lic acid monohydrate.

Moreira Olívia B O OBO Freitas Maria Clara R MCR Souza Karynne C KC Jordão Alessandro K AK Resende Jackson A L C JALC

Acta crystallographica. Section E, Crystallographic communications 20190503 Pt 6

In the mol-ecular structure of the title compound, C10H10N4O2·H2O, the angle between the triazole and arene rings is 87.39 (5)°. The water of crystallization connects the mol-ecules in the crystal packing. The crystal structure exhibits N-H⋯O, O-H⋯O and O-H⋯N inter-actions, resulting in the formation of a three-dimensional framework. The inter-molecular inter-actions were identified and qu-anti-fied using Hirshfeld surface analysis. ...[more]

PMID: 31391956

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