Orientation of methanol enclathrated in the β-hydroquinone lattice: an X-ray crystallographic study
- 1 January 1982
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 11,p. 1435-1437
- https://doi.org/10.1039/p29820001435
Abstract
The crystal structure of a β-hydroquinone–methanol clathrate, 3C6H4(OH)2·xCH3OH (x= 0.887), has been determined. The encaged CH3OH molecule has three preferred orientations related by three-fold rotation about the c axis. In each orientation, the C–O bond is tilted by 35° from c to facilitate interaction of the hydroxy-group with three phenolic oxygen atoms of a neighbouring [OH]6ring. Crystals are rhombohedral, space group R3, with Z= 3 in a hexagonal unit cell of dimensions a= 16.621 (2), c= 5.562(1)Å. Refinement of 632 observed data yielded R 0.043.Keywords
This publication has 0 references indexed in Scilit: