Molecular Complexes of Hydroxy Host Systems with Alcohols. X-Ray Crystal Structures of 1,1,6,6-Tetrakis(2,4-dimethylphenyl)-2,4-hexadiyne-1,6-diol-Ethanol (1:2), 1,1-Bis(2,4-dimethylphenyl)-2-butyn-1-ol-Ethanol (1:1), and 9-(1-Propynyl)-9-fluorenol-Methanol (1:1)

Article abstract of DOI:10.1246/bcsj.58.2221

The structures of a 1:2 molecular complex(I) of 1,1,6,6-tetrakis(2,4-dimethylphenyl)-2,4-hexadiyne-1,6-diol with ethanol, a 1:1 complex(II) of 1,1-bis(2,4-dimethylphenyl)-2-butyn-1-ol with ethanol, and 1:1 complex (III) of 9-hydroxy-9-(1-propynyl)fluorene with methanol have been determined by X-ray crystallography.The crystal data are: I, C42H50O4, P1, a=8.249(3), b=9.522(5), c=14.803(8) Angstroem, α=100.95(4), β=110.82(4), γ=113.08(3) deg, Z=1, and R_f=0.105 for 1834 observed Mo Kα data; II, C22H28O2, P1, a=8.142(2), b=11.281(3), c=12.262(5) Angstroem, α=102.76(2), β=97.08(2), γ=111.19(2) deg, Z=2, and R_f=0.073 for 2104 data; III, C17H16O2, P2₁/a, a=8.641(5), b=10.883(5), c=30.63(2) Angstroem, β=92.88(4), Z=8, R_f=0.154 for 1885 data.The crystal structures of I and II are closely related and both feature planar hydrogen-bonded (OH)4 rings centered at centrosymmetric sites.In III, the fluorene and methanol molecules belong to two independent sets, and the molecular components in each set are alternately linked by hydrogen bonds to confirm infinite zigzag chains parallel to the a axis.