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

Abstract

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 Pī, a = 7.934(2), b = 10.387(2), c = 14.084(3) A, α = 96.049(3), β = 101.231(4), γ = 95.635(4)°, V = 1123.7(4) A3, and Dc = 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.