Author/Authors :
Moreira,Olívia B. O. Graduate Program in Chemistry - Department of Chemistry - Universidade Federal de Juiz de Fora, Brazil , Freitas, Maria Clara R. Instituto de Química - Universidade Federal Rural do Rio de Janeiro, Brazil , Souza, Karynne C. Instituto de Ciências Exatas e da Terra, Campus Universitário do Araguaia - Universidade Federal do Mato Grosso - Avenida Universitária, Brazil , Jordão, Alessandro K. Departamento de Farmácia Universidade Federal do Rio Grande do Norte, Brazil , Resende, Jackson A. L. C. Instituto de Ciências Exatas e da Terra - Campus Universitário do Araguaia - Universidade Federal do Mato Grosso, Brazil
Abstract :
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.
Keywords :
crystal structure , triazole compounds , crystal packing , hydrogen bonding , Hirshfeld surface analysis
