Inclusion complexes of the natural product gossypol. Crystal structures of gossypol complexes with benzene and chloroform as guests

Authors:

• Maria Gdaniec,
• B. T. Ibragimov,
• S. A. Talipov

Abstract

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 groupPI,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,D x = 1.32 g cm−3, μ(CuK α) = 7.35 cm−1. The structure has been refined to a finalR value of 0.050 for 6146 observed reflections. The crystals of C30H30O8·CHCl3 (GPCLF) are monoclinic, space groupC2/c,a = 28.464(4),b = 8.948(1),c = 26.480(4) Å, β = 108.93(2)°,V = 6380(2) Å3,Z = 8,D x = 1.33 g cm−3, μ(CuKα) = 30.42 cm−1. The structure has been refined to a finalR 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.