title: Chlorine anion encapsulation by molecular capsules based on cucurbit[5]uril and decamethylcucurbit[5]uril.
abstract: Three barrel-shaped artificial molecular capsules 1-3, based on normal cucurbit[5]uril (Q[5]) and decamethylcucurbit[5]uril (Me10Q[5]), were synthesized and structurally characterized by single-crystal X-ray diffraction. Encapsulation of a chlorine anion in the cavity of a Q[5] or Me10Q[5] to form closed a molecular capsule with the coordinated metal ions or coordinated metal ions and water molecules in the crystal structures of these compounds is common. The three complexes [Pr2(C30H30N20O10)Cl3(H2O)13]3+ 3 Cl- x 5 H2O (1), [Sr2(C40H50N20O10)(H2O)4Cl]3+ 3 Cl- x 2 (HCl) 19 H2O (2) and [K(C40H50N20O10)(H2O)Cl] x [Zn(H2O)2Cl2] x [ZnCl4]2- x 2 (H3O)+ x 8 H2O (3) all crystallize as isolated molecular capsules.
authors.affiliation: Key Laboratory of Macrocyclic and Supramolecular Chemistry of Guizhou Province, Guizhou University, Guiyang 550025, People's Republic of China.
authors.forename: Yun-Qian
authors.initials: YQ
authors.lastname: Zhang
authors.forename: Qian-Jiang
authors.initials: QJ
authors.lastname: Zhu
authors.forename: Sai-Feng
authors.initials: SF
authors.lastname: Xue
authors.forename: Zhu
authors.initials: Z
authors.lastname: Tao
mesh_terms: D000838:Anions / Q000737:chemistry*; D001952:Bridged-Ring Compounds / Q000737:chemistry*; D002713:Chlorine / Q000737:chemistry*; D018360:Crystallography, X-Ray; D007093:Imidazoles / Q000737:chemistry*; D014867:Water / Q000737:chemistry; D047028:Macrocyclic Compounds; D000099246:Cucurbit(n)urils
chemical_list: D000838:Anions; D001952:Bridged-Ring Compounds; D002713:Chlorine; D007093:Imidazoles; D014867:Water; C523802:cucurbit(5)uril; D047028:Macrocyclic Compounds; D000099246:Cucurbit(n)urils; C523803:decamethylcucurbit(5)uril