Crystal and molecular structure studies of (Z)-N-methyl-C-4-substituted phenyl nitrones by XRD, DFT, FTIR and NMR methods

New N-methyl-C-4-substituted phenyl nitrones have been synthesized and characterized by elemental analyses, FTIR, NMR and X-ray diffraction. The relative stabilities of their two possible isomers (E and Z) have been investigated using the B3LYP/6-311++G(d,p).