Crystal structure of 1-anilino-5-methyl-1H-1,2,3-triazole-4-carboxylic acid monohydrate

Acta Crystallographica Section E: Crystallographic Communications

Alessandro K. Jordão¹  Olívia B. O. Moreira²  Karynne C. Souza³  Jackson A. L. C. Resende³  Maria Clara R. Freitas⁴ 

[1] Departamento de Farmácia, Universidade Federal do Rio Grande do Norte, R. Gen. Gustavo Cordeiro de Faria, S/N, Natal - RN, CEP 59012-570, Brazil;Graduate Program in Chemistry, Department of Chemistry, Universidade Federal de Juiz de Fora, Rua José Lourenço Kelmer, s/n, Juiz de Fora - MG, CEP 36036-330, Brazil;Instituto de Ciências Exatas e da Terra, Campus Universitário do Araguaia, Universidade Federal do Mato Grosso, Avenida Universitária, 3500, Pontal do Araguaia - MT, CEP 78698-000, Brazil;Instituto de Química, Universidade Federal Rural do Rio de Janeiro, BR-465, Km 7, CEP 23.890-000, Seropédica, RJ, Brazil;

关键词: crystal structure;    triazole compounds;    crystal packing;    hydrogen bonding;    Hirshfeld surface analysis.;   

DOI  :  10.1107/S2056989019005711

来源: DOAJ

【 摘 要 】

In the molecular 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 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.

【 授权许可】

Unknown