Crystal structure of 2-(2,6-Dichlorophenylcarbamoyl)benzoic acid

Abstract

The crystal structure of 2-(2,6-dichlorophenylcarbamoyl)benzoic acid has been determined by direct methods from three-dimensional X-ray diffraction data and refined to R 0.076 for 971 'observed' reflections. Crystals are monoclinic, space group P2₁/c with Z4 in a cell of dimensions a 12.150(6), b l3.629(6), c 8.368(4) Å, β lO3.75(4)º. The molecules form centrosymmetric hydrogen-bonded cyclic dimers [O. . .O, 2.64(1) Å] with the carboxylic acid group lying in the approximate plane of the attached benzene ring (dihedral angle 7.63º). This is in turn almost parallel to the 2,6-dichlorophenyl substituent group on the acid amide (dihedral angle 4.14º). The amide group is synclinally related to the ring systems in a similar way to that found in other phthalamic acids.