Abstract A systematic series of ortho-methyl-and nitro-substituted arylhydrazones 2–6 formed by Japp–Klingemann reaction between pentane-2, 4-dione and the respective aryldiazonium salts have been synthesized and studied by X-ray crystal structure analysis, with added quantum chemical calculations. The optimized molecular geometries based on DFT calculations, enabling determination of relevant rotational barriers, and the calculated ...
