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(H2O)6]2DCyHQ[6]}4+·2SO42-·10H2O (2), {[Zn(H2O)6]2DCyHQ[6]}4+·2SO42-·10H2O (3), {[Sr(H2O)5]2DCyHQ[6]}4+·5Cl-·(H3O)+·8H2O{[Sr(H2O)5]2DCyHQ[6]}4+·5Cl-·(H3O)+·8H2O (4), {[Na(H2O)4]2DCyHQ[6]}2+·4Br-·2(H3O)+·14H2O{[Na(H2O)4]2DCyHQ[6]}2+·4Br-·2(H3O)+·14H2O (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].