Abstract
C 48H 64O 4, M r = 705.04, monoclinic, P2 1/ n, a= 14.509(2) Å, b = 17.913(4) Å, c = 16.899(1) Å, β = 107.343(9)°, V = 4192.4(11) Å 3, Z = 4, D x = 1.117 g cm −3, λ(Mo Kα) = 0.71073 Å, μ = 0.74 cm −1, F(000) = 1536, T = 100 K, R = 0.059 for 5505 observed reflections with I& >; 2.5σ( I). The molecular conformation of the anti form of the title compound, i.e. with the two neighbouring phenylethylether fragments in anti positions, is a partial cone. The conformation is stabilized by two intramolecular hydrogen bonds. These bonds involve both the phenolic OH groups as donors and a hydroxyl group and an ethoxygroup as acceptors. FT-IR solid state spectra reveal two OH bands at 3388 and 3175 cm −1 which is in accordance with the observed hydrogen-bond configuration. In CCl 4 solution the partial cone is preserved for the anti form (3378 and 3187 cm −1) while the corresponding syn form mainly adopts a cone conformation characterized by OH stretching vibrations at 3360 and 3168 cm −1.
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