Supramolecular structure of 5-hydroxyisophthalic acid-ethanol 2:1 solvate

Abstract

A 2:1 5-hydroxyisophthalic acid (HIPA)-ethanol solvate, 2(C8H6O5)·C2H6O, was crystallized in the monoclinic space group P21/c with a = 13.782(3)Å, b = 8.3300(16)Å, c = 15.755(3)Å, β = 97.366(7)°, V = 1793.8(6)Å3, and Z = 4. X-ray crystal structure analysis (R1 = 0.0740) revealed that the HIPA molecules formed a one-dimensional hydrogen bonded framework along the b-axis containing cavity spaces, into which ethanol molecules were embedded. 2012 © The Japan Society for Analytical Chemistry.