Crystal and molecular structure of 2,7-di-tert-butyl-9,9-dimethyl-4,5-xanthenedicarboxylic acid

The crystal and molecular structure of molecular cleft 2,7-di-tert-butyl-9,9-dimethyl-4,5-xanthenedicarboxylic acid (1) is reported. Crystal data for 1: triclinic, space group P, a = 7.934(2), b = 10.387(2), c = 14.084(3) Å, = 96.049(3), = 101.231(4), = 95.635(4)°, V = 1123.7(4) ų, and D _c = 1.21 g/cm³, for Z = 2. The molecule crystallizes as a cyclic, hydrogen-bonded dimer held together by four O–H······O hydrogen bonds involving four carboxyl groups each of which interact by way of a cyclic hydrogen-bonded motif. The complex organizes in the solid state to form a 2D layered structure.