SYNTHESIS AND INCLUSION PROPERTIES OF THE HOST COMPOUND 1,3-DIHYDRO-1,1,3,3-TETRAPHENYLISOBENZOFURAN - X-RAY CRYSTAL-STRUCTURES OF THE FREEHOST AND OF AN INCLUSION COMPOUND WITH 1,4-DIOXANE

A novel host molecule, 1, suitable for crystalline lattice-type inclus ion, has been synthesized, and its cocrystal formation ability has bee n investigated. Host 1 proved to be of potential use for organic solve nt separation and retrieval, and a promising auxiliary for solidificat ion of certain odorous substances. The crystal structures of the solve nt-free host 1, and its complex with 1,4-dioxane (1:1), have been dete rmined by single crystal X-ray diffraction. The structure of 1 (guest- free) is triclinic, P (1) over bar, with a = 9.452(2), b = 10.359(3), c = 13.116(3) Angstrom, alpha = 101.80(2), beta = 106.53(1) and gamma = 104.32(1)degrees. The spacious, propeller-like molecules are held to gether by weak van der Waals' forces. The dioxane inclusion compound i s monoclinic, P2(1)/a, with a = 15.050(1), b = 8.641(1) and c = 20.658 (1) Angstrom, and beta = 94.56(1)degrees, and contains two crystallogr aphically independent guest molecules, both located around symmetry ce ntres. The molecular packing seems to be governed by C-H ... O type bo nds (C ... O = 3.31 and 3.48 Angstrom) from the host to the dioxane ox ygens.