INCLUSION-COMPOUNDS OF (+ -) GOSSYPOL - STRUCTURE OF THE GOSSYPOL-SALICYLALDEHYDE (1/1) AND GOSSYPOL-1,3-DIOXANE (1/1) - A NEW-TYPE OF THE HOST H-BONDED AGGREGATE/

The crystal structures of the inclusion compounds of gossypol with sal icylaldehyde (I) and 1,3-dioxane (II) with host: guest ratio 1:1 have been determined by X-ray structure analysis. The crystals of I are tri clinic, space group P $($) over bar$$ 1, a = 13.834(3), b = 14.874(3), c=18.403(2) Angstrom, alpha = 66.60(1), beta=109.12(1), gamma = 109.6 3(2)degrees, V = 3190(1) Angstrom(3), Z = 4, D-x = 1.33 g cm(-3), mu(C u K alpha) = 0.801 mm(-1) T = 292 K. The structure has been solved by direct methods and refined on F-2 to the final R value of 0.111. The c rystals of II are triclinic, space group P $($) over bar$$ 1, a = 12.1 49(4), b = 14.310(3), c = 18.687(3) Angstrom, alpha = 91.08(2), beta = 94.16(2), gamma = 94.94(2)degrees, V = 3227(1) Angstrom(3), Z = 4, D- x = 1.25 g cm(-3), mu(Cu K alpha) = 0.759 mm(-1) T = 292 K. The struct ure has been solved by direct methods and refined on F-2 to the final R value of 0.119. The above compounds are not isostructural. There are two host and two guest molecules in the asymmetric unit. In I and II a new type of a column-type aggregate of hydrogen-bonded gossypol mole cules is observed. In I guest molecules are enclosed in a large cage a ble of accommodating four salicylaldehyde molecules. The guest molecul es join via hydrogen bonds to the host aggregate. In II only one of th e 1,3-dioxane molecules is bonded to the host. The other one, strongly disordered, is located in a channel parallel to [101].