The crystal and molecular structure of the epoxybromo derivative of atractyligenin.

Abstract The complete configuration of atractyligenin has been obtained by a three-dimensional single-crystal X-ray difiraction study. Previous structural work has been confirmed, in particular the configuration of the epoxy group. The space group is C2, with four molecules in the cell, a = 19·005, b = 7·165, c = 14·450 A, β = 108° 31′, and the final R is 0·125 for 1320 observed reflections. The stress in the molecule (as indicated by the torsional angles) and the molecular packing are discussed.