Electron density distribution in 2-nitro-5-methylimidazole derivatives studied by NMR-NQR double resonance

An NMR-NQR spectroscopic study of three 2-nitroimidazole derivatives was pe rformed, prompted by the prospective medical applications of these compound s. A comparison of the NMR-NQR spectra of the derivatives taken at 193 and 296 K was made. Moreover, the electronic structure of each derivative was r eferred to that of pure imidazole, which was possible on the basis of analy sis of the bond populations. The effect of substitution of the imidazole ri ng at the 1 H position was analysed. Copyright (C) 1999 John Wiley & Sons, Ltd.