The crystal structure of diethyl terephthalate

Abstract

The crystal structure of diethyl terephthalate has been determined. The crystals are monoclinic, with cell dimensions a = 9.12 A., b = 15.39 A., c = 4.21 A., β = 93.4°. The space group is P21/n with two centrosymmetrical molecules in the unit cell. The atomic co-ordinates were obtained from packing considerations and were refined by c-axis Fourier projections and line syntheses. The molecule is planar, with the exception of the terminal CH3 groups, and the only intermolecular forces are of the van der Waals type, the shortest distance between adjacent molecules being 3.4 A.