This study describes the synthesis of novel 4-nitro-2-substitutedimidazole derivatives via a transposition reaction of nitro group. Conversion of 5-nitro-2-phenylethanol (styryl) imidazole derivatives into the corresponding 4-nitroisomers was achieved in good yields in nitrobenzene using a catalytic amount of methyl iodide. Spectroscopic study and single crystal X-ray structures are reported for five compounds to understand the conformational ...