Crystal structure of 1-(4-bromophenyl)-2-(2-methyl-4-nitro-1H-imidazol- 1-yl)ethanone oxime, C12H11BrN4O3

Abstract

C 12 H 11 BrN 4 O 3 ,orthorhombic, Pbca (no. 61), a =8.2167(7) Å,Source of material 2-Bromo-1-(4-bromophenyl)ethanone (0.278 g, 1mmol) and 2-methyl-4-nitro-1H-imidazole (0.127g, 1m mol) were mixed in ethanol (20 ml). The mixture was stirred for af ew minutes at 85°C, in the catalytic conditions of K 2 CO 3 and tetrabutylammoniumbromide (TBAB). The formedprecipitate was filtered and purified by recrystallization obtaining awhite powder. The white product was mixed with with six equivalents of hydroxylamine hydrochloride in the solution of ethanol, and two times K 2 CO 3 asthe catalyst wasadded. The mixture was stirred for 2 hoursi nt he reflux conditions.C olourless block-shaped single crystals were obtained by slow evaporation of the solution in air.Experimental details H-atomswere positioned geometrically and refined using ariding model, with C-H =0.93-0.97 Å, O-H =0.82Å,and with U iso (H) setto1.7U eq (C) and 1.4U eq (O).