The Crystal and Molecular Structure of Averufin

Abstract

The crystal structure of averufin has been determined by means of the X-ray diffraction method. The space group is P21/a, with a=23.70 Å, b=7.24 Å, c=9.48 Å, and β=105.5°. The structure was solved by the interpretation of the three-dimensional Patterson function and was refined by the least-squares method. The molecular structure is in agreement with that proposed by Roffey and Grandjean. In the crystal, the molecules are linked to form a molecular pair by a OH···O hydrogen bond across the center of symmetry.