Issue 10, 1976

Crystal structure of a clathrate inclusion compound of hydroquinone and hydrogen sulphide

Abstract

The crystal structure of a β-hydroquinone clathrate of stoicheiometry 3C6H4(OH)2·xH2S (x= 0.768) has been determined from three-dimensional X-ray data. The hydrogen-bonded [OH]6hexagonal rings are nearly but not exactly planar, and a difference map revealed an ordered proton arrangement. The clathration cavity is roughly, spherical with a free diameter of ca. 4.8 Å. Analysis of the thermal parameters showed that the hydroquinone molecule behaves as a rigid body, and that vibration of the S atom is very pronounced, particularly in the direction of the c axis.

The structure was refined by full-matrix anisotropic least-squares to R 0.089 for 635 visual reflections. Crystals are rhombohedral, space group R[3 with combining macron], with Z= 3 in a hexagonal unit cell of dimensions: a= 16.67(1) and c= 5.518(5)Å. Bond distances and angles are all as expected.

Article information

Article type
Paper

J. Chem. Soc., Perkin Trans. 2, 1976, 1169-1172

Crystal structure of a clathrate inclusion compound of hydroquinone and hydrogen sulphide

T. C. W. Mak, J. S. Tse, C. Tse, K. Lee and Y. Chong, J. Chem. Soc., Perkin Trans. 2, 1976, 1169 DOI: 10.1039/P29760001169

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