Polymorphism of Inclusion Complexes and Unsolvated Hosts. V. Crystal Structure of the α-Dimorph of the 1 : 2 Dianilinegossypol–DMSO Complex and a 1 : 1 : 1 Inclusion Complex Based on a Mixed Dianilinegossypol/1,4-Dioxane Host Matrix and 1,2-Dichloroethane Guest

Abstract

Dianilinegossypol forms a 1 : 2 host-guest complex with DMSO:monoclinic, space group P2₁/n, a = 8.522(3), b = 18.034(4), c= 28.462(6) Å, β = 94.14(2)°, V = 4362ų, Z = 4, D x = 1.26 g cm^-3, T = 295 K.Final R value is 0.102 for 1793 observed reflections. A 1 : 1 : 1 adduct ofdianilinegossypol with 1,4-dioxane and 1,2-dichloroethane is found to beisostructural with the dianilinegossypol complex with DMSO: monoclinic,space group P2₁/n, a = 8.281(2), b = 19.245(3), c = 27.970(7)Å, β = 95.18°, V = 4439 ų, Z = 4, D x =1.28 g cm^-3, T = 295 K. Final R value is 0.114 for 2458observed reflections.The host molecules are associated by O(4)—H ...O(3) H-bonds toinfinite chains running in the direction of the c-axis The chains areincorporated into layers through 1,4-dioxane or DMSO molecules havingH-bonds with dianilinegossypol molecules. Another DMSO or 1,2-dichloroethanemolecule is included as a guest in the channels formed between the layers.At 60 °C a cryptate-type inclusion complex of dianilinegossypol isformed with DMSO or 1,4-dioxane. It is isostructural with the acetonecomplex reported in Part IV of the present series.