Structure elucidation, biological evaluation and molecular docking studies on a new organic salt: 2-Aminobenzimidazolium 5-nitro-2-hydroxybenzoate

摘要: Abstract An organic salt, 2-aminobenzimidazolium 5-nitro-2-hydroxybenzoate was synthesized and crystals were successfully grown from methanol using slow evaporation solution growth technique recrystallization done further to increase the purity of crystal. The density evaluated by flotation method carbon tetrachloride xylene as solvents. Single crystal X-ray diffraction showed that is monoclinic system with P21/n space group molecular structure stabilized via three dimensional hydrogen bonding interactions. For present structure, Hirshfeld surface fingerprint plots drawn analysed for intermolecular title compound AB5N2HB characterized 1H 13C NMR spectroscopy predict bonded network. FT-IR Raman spectral studies confirmed presence functional groups their modes vibrations. In UV–Vis absorption spectrum band at 313 nm proton transferred cation anion. Simultaneous thermogravimetric differential thermal analyses revealed stability decomposition point it stable up 289 °C. exhibited significant anti-bacterial anti-fungal activity against different pathogens. Among them good antibacterial Escherichia Coli Candida albicans when compared standard drug Penicilin G Ketaconazole respectively. A docking interaction also studied.