Crystal structure, spectroscopy and theoretical studies of p-cyanobenzenosulfonamide and a Cu(II) complex

► p-Cyanobenzenosulfonamide and a new copper complex were prepared and characterized. ► The thermal behavior was investigated by thermogravimetric and differential thermal analysis. ► The experimental IR, Raman and UV-VIS spectra have been assigned using Density Functional (DFT) calculations at B3LYP/6-311+G∗∗ level.