Nicotinohydrazide derived hydrazone ligated vanadium(V) complex: Supramolecular assembly and quantification of intermolecular interactions

•Vanadium(V) complex containing simple hydrazone ligands has been synthesized in good yield.•The structure of the complex was confirmed by single crystal X-ray crystallography.•Different types of interactions are hydrogen bonding, pi-pi stacking and chalcogen bonding.•Computational studies show that the HOMO-LUMO energy gap of the ligand is 3.546 eV, and the complex is 3.12 eV.•The HOMO energy indicates that the molecule is susceptible to electrophiles and the LUMO energy suggests nucleophile susceptibility. In this study, the synthesis and characterization of nicotinohydrazide derived hydrazone ligated vanadium(V) complex together with the corresponding computational analyses was reported. The complex was synthesized by reaction of vanadium pentoxide with (E)-N'-((2-hydroxynaphthalen-1-yl)methylene)nicotinohydrazide in ethanol solution under reflux condition at 70 °C. The studied crystal was obtained via evaporation of the solvent at room temperature and structural features were determined using single-crystal XRD. The results confirmed the prevalent role of strong hydrogen bonds of the N–H···O, N–H···N and C–H···O type. These hydrogen bonding interactions play a very important role in stabilization of the complex. Furthermore, the hydrogen bonding and other weak interaction and other contacts play a significant role in the crystal packing. [Display omitted]