INCLUSION COMPLEXES OF THE NATURAL PRODUCT GOSSYPOL - CRYSTAL-STRUCTURES OF GOSSYPOL COMPLEXES WITH BENZENE AND CHLOROFORM AS GUESTS

The crystal structures of the lattice inclusion complexes of gossypol with benzene and chloroform have been determined by X-ray structure analysis. The crystals of (C30H30O8)2 · C6H6 (GPBNZ) are triclinic, space group PI, a = 11.241(3), b = 14.986(4), c = 17.380(4) Å, α = 98.89(2), β = 99.86(2), γ = 98.91(2)°, V = 2800(2) Å3, Z = 2, Dx = 1.32 g cm-3, μ(Cu Kα) = 7.35 cm-1. The structure has been refined to a final R value of 0.050 for 6146 observed reflections. The crystals of C30H30O8·CHCl3 (GPCLF) are monoclinic, space group C2/c, a = 28.464(4), b = 8.948(1), c = 26.480(4) Å, β = 108.93(2)°, V = 6380(2) Å3, Z = 8, Dx = 1.33 g cm-3, μ(CuKα) = 30.42 cm-1. The structure has been refined to a final R value of 0.100 for 1980 observed reflections. GPCLF forms an intercalate-type structure and GPBNZ a clathrate-type structure. There are, however, some similarities in the packing mode of the host molecules in these two structures. On a basis of comparison of the crystal packing of GPCLF and GPBNZ one can postulate that in the desorption process of the intercalate-type GPCLF complex an intermediate clathrate structure of the GPBNZ-type should be formed. © 1990 Kluwer Academic Publishers.