Crystal structures of supramolecular assemblies based on a para-dicyclohexanocucurbit[6]uil with metal ions

Five crystals based on para-dicyclohexanocucurbit[6]uil (DCyHQ[6]) were synthesized and structurally characterized by single-crystal X-ray diffractions. They are {Dioxane@DCyHQ[6]}·18H2O (1), { [ Cu ( H 2 O ) 6 ] 2 DCyHQ [ 6 ] } 4 + · 2 SO 4 2 - · 10 H 2 O (2), { [ Zn ( H 2 O ) 6 ] 2 DCyHQ [ 6 ] } 4 + · 2 SO 4 2 - · 10 H 2 O (3), { [ Sr ( H 2 O ) 5 ] 2 DCyHQ [ 6 ] } 4 + · 5 Cl - · ( H 3 O ) + · 8 H 2 O (4), { [ Na ( H 2 O ) 4 ] 2 DCyHQ [ 6 ] } 2 + · 4 Br - · 2 ( H 3 O ) + · 14 H 2 O (5). The compound 1 which is a dioxane@DCyHQ[6] inclusion host–guest complex; the other three crystal structures of the compounds 2, 3 and 4 show supramolecular assemblies comprising of DCyHQ[6] and metal ions or their aqueous complexes through hydrogen bonding; while the crystal structure of the compound 5 shows a one-dimensional supramolecular polymer through direct coordination of sodium cations to the portal carbonyl oxygen atoms of the DCyHQ[6].