3,5-Dibromo-4-carbamoylbenzoic acid 2-propanol monosolvate

Abstract

In the title solvated crystal, C8H5Br2NO3·C3H8O, the acid molecules form inversion dimers by pairwise N—H...O hydrogen bonds between carbamoyl groups and the carboxyl and carbamoyl groups link to form head-to-tail inversion dimers. The 2-propanol hydroxyl group interposes between adjacent head-tail pairs, resulting in C 3 3(10) chains of hydrogen bonds propagating along [100]. The molecules of 2-propanol are disordered over two sets of sites in a 0.598 (8):0.402 (8) ratio. The best-fit planes of the carbamoyl group and benzene ring are inclined by 88.26 (11)°. This is a greater inclination than was previously reported with CH3, Cl, F or H in place of the Br atoms, although those analogues did not have a para carboxyl group.