Abstract
The 2: 1: 2 complex of 2′-hydroxy-2,4,4,7,4′-pentamethylflavan (1) with 1,4-dioxan and water is triclinic, space groupP \(\bar 1\), witha=8.164(1),b=8.960(1),c=14.644(1) Å, α=91.56(1), β=97.19(1), γ=103.37(1)°; there are two flavan host, two water molecules and a single 1,4-dioxan guest molecule in the unit cell. The dioxan molecule is linked,via a hydrogen-bonded water molecule, to the phenolic OH group. The second hydrogen of this water molecule is also involved in hydrogen bonding, in this case to the ring oxygen of a second host molecule. Thus a hydrogen-bonded hexameric unit, a common feature of many clathrates of phenolic hosts, is not found in the present structure.
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MacNicol, D.D., Mallinson, P.R. Crystal structure analysis of the inclusion compound of 2′-hydroxy-2,4,4,7,4′-pentamethylflavan with 1,4-dioxan and water. Journal of Inclusion Phenomena 1, 169–174 (1983). https://doi.org/10.1007/BF00656819
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DOI: https://doi.org/10.1007/BF00656819