1,2,4-triazole-3-thione Schiff bases compounds: Crystal structure, hirshfeld surface analysis, DFT studies and biological evaluation
Shaojie Wu, Le Qi, Yinghui Ren, Haixia Ma
Topics & Concepts
ChemistrySchiff baseMolecular orbitalHydrogen bondDensity functional theoryTriazoleCrystallographyBasis setSingle crystalCrystal structureMoleculeMolecular geometryProton NMRCrystal (programming language)Computational chemistryStereochemistryOrganic chemistryProgramming languageComputer scienceSynthesis and biological activitySynthesis and Characterization of Heterocyclic CompoundsMetal complexes synthesis and properties