期刊论文详细信息
Acta Crystallographica Section E: Crystallographic Communications | |
Crystal structure of 1-anilino-5-methyl-1H-1,2,3-triazole-4-carboxylic acid monohydrate | |
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