INCLUSION-COMPOUNDS OF (+/-) GOSSYPOL - STRUCTURE OF THE GOSSYPOL-TOLUENE (4/3) CLATHRATE

The crystal structure of the inclusion compound of gossypol with toluene as a guest molecule has been determined by X-ray structure analysis. The crystals of (C30H30O8)4.(C7H8)3 are monoclinic, space group P2(1)/c, a = 20.615(4), b = 16.134(3), c = 19.344(4) angstrom, beta = 109.14(2)-degrees, V = 6078(2) angstrom3, Z = 2, D(x) = 1.284 g cm-3, mu(CuKalpha) = 0.701 mm-1, T = 292 K. The structure has been solved by direct methods and refined to the final R value of 0.088 for 1990 observed reflections and 438 refined parameters. Gossypol-toluene (4/3) is not isostructural with any of the previously investigated gossypol inclusion compounds but appears to be a missing link between the structures of gossypol-chloroform (1/1) and gossypol-benzene (2/1).