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Complexation with diol host compounds. Part 33. Inclusion and separation of pyridines by a diol host compound

Crystal Engineering 01/2000; 3(4):251-261. DOI: 10.1016/S1463-0184(00)00044-7

ABSTRACT The host 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol includes pyridine and the picolines. The structures of these inclusion compounds and their lattice energies have been determined. The selectivity of the host for a particular guest has been measured by competition experiments and the results are rationalised in terms of the structural features of the host-guest compounds.

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    ABSTRACT: The title compound 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol (H) forms inclusion compounds with benzene, toluene and mesitylene. HC6H6 (1) and H$$\frac{3}{4}$$C7H8 (2) crystallize in the triclinic space group P(-1) with unit cell dimensions for 1: a = 13.001(3) , b = 15.284(3) , c = 16.744(3) , α = 99.26(3), β = 74.78(3), γ = 64.96(3), Z = 4 and for 2: a = 12.922(3) , b = 15.159(3) , c = 16.562(3) , α = 68.12(3), β = 73.99(3), γ = 66.00(3), Z = 4. The hydroxyl groups of adjacent host molecules are involved in hydrogen bonding. HC9H12 (3) exhibits a different packing arrangement with weak hydrogen bonding between the hydroxyl hydrogen of the host and the phenyl ring of the guest. The crystal system of compound 3 is monoclinic with space group C2/c, a = 23.750(5) , b = 8.4746(17) , c = 17.760(4) , α = 90, β = 123.40(3), γ = 90, Z = 4. The thermal behaviour of these compounds has also been studied.
    Journal of Chemical Crystallography 01/2006; 36(7):435-443. · 0.51 Impact Factor