THE STRUCTURE OF THE 2/1 CHANNEL INCLUSION COMPOUND BETWEEN DEOXYCHOLIC-ACID AND PINACOLONE, 2C24H40O4.C6H12O

The title compd., 4C24H40O4.C14H15N3, crystd. in space group P212121 with a 25.676(8), b 13.731(3), and c 7.160(2) .ANG.; d.(exptl.) = 1.17 and d.(calcd.) = 1.18 for Z = 4. The structure was refined to R = 0.093 and RW = 0.099 for 1810 obsd. reflections with I > 2.sigma.(I). At. parameters are given. The crystal packing is characterized by an assembly of pleated antiparallel bilayers, nearly equal to that of the acetophenone-choleic acid complex, which give rise to canals filled by p-dimethylaminoazobenzene mols. The guest mols., located by van der Waals energy calcns., run along c and have their long axes approx. parallel to c. The C(5), C(6), C(19), C(20), C(21), and C(22) atoms, together with their H atoms, are engaged in strong interactions with the atoms of p-dimethylaminoazobenzene