Structure elucidation, biological evaluation and molecular docking studies of 3-aminoquinolinium 2-carboxy benzoate- A proton transferred molecular complex

A new organic molecular complex of 3-aminoquinolinium-2-carboxybenzoate (3AQ2CB) was synthesized and grown as single crystal by employing slow evaporation solution growth technique where 3-aminoquinoline (3AQ) act as a donor and 2-carboxybenzoate (2CB) acts as an acceptor. The density of grown crystal 3AQ2CB was measured by floatation method using carbon tetrachloride and xylene as solvents. The molecular structure of the grown crystal was predicted by single crystal X-ray diffraction analysis. The presence of proton and carbon was predicted by 1H and 13C NMR spectral analyses. The vibrational modes of functional group present in the grown crystal were recorded by FTIR and Raman spectrometer. The UV-Vis spectrum 3AQ2CB showed a visible band at 390 nm due to the promotion of electron from donor molecule to acceptor molecule. The thermal properties and stability of the 3AQ2CB was evaluated by thermogravimetric and differential thermal analysis respectively and 3AQ2CB was found to be stable upto 138 °C. The anti-bacterial and anti-fungal activities of 3AQ2CB complex against selected bacteria were investigated. A molecular docking interaction of 3AQ2CB compound was also studied.