Structural (X-ray), spectral (FT-IR and Raman) and quantum chemical investigations of a series of 6-benzylaminopurine derivatives

► X-ray structural analysis of five 6-benzylaminopurine derivatives. ► Experimental and theoretical study based on interpretation of vibrational frequencies. ► Comparison of results obtained by HF, DFT, RI-MP2 and MP2 levels of theory.