Crystal Structure of 1,3-Bis(3,5-dibromosalicylideneamino)-2-propanol

The crystal structure of 1,3-bis(3,5-dibromosalicylideneamino)-2-propanol was determined by the single-crystal X-ray diffraction method at 90 K. It crystallizes in the monoclinic space group P2(1)/n with a = 16.5374(17)angstrom, b = 18.1164(19)angstrom, c = 19.330(2)angstrom, beta = 93.608(3)degrees, V = 5779.9(10)angstrom(3), D-x = 2.117 g/cm(3), and Z = 12. The R1 [I > 2 sigma(I)] and wR2 (all data) values are 0.0743 and 0.1541, respectively, for all 13203 independent reflections. The crystal contains three crystallographically independent Schiff-base molecules. Each molecule takes a bended structure at the central carbon atom with a dihedral angle of between the two 3,5-dibromosalicylideneaminomethyl planes of 79.68, 84.52, or 89.72 degrees. The three Schiff-base molecules are connected one another by intermolecular hydrogen bonds between an alcohol-oxygen atom and a phenolato-oxygen atom of a neighboring Schiff-base molecule.