title: Zoledronate complexes. I. Poly[[mu2-aqua[mu3-1-hydroxy-2-(1H,3H-imidazol-3-ium-1-yl)ethylidenediphosphonato]potassium(I)] monohydrate].
abstract: The title compound, {[K(C(5)H(9)N(2)O(7)P(2))(H(2)O)].H(2)O}(n), is polymeric and consists of layers parallel to (001) interconnected by hydrogen-bonding and pi-pi interactions. The K(+) cation is eightfold coordinated in a KO(8) environment by O atoms from three different chelating zoledronate units and two coordinated water molecules. The zoledronate group presents its usual zwitterionic character, with negative charges in the singly protonated phosphonate groups and a positive charge at the protonated imidazole N atom. The anion binds to three different K(+) cations in a (so far unreported) triply chelating manner. Intra- and interplanar interactions are enhanced by a variety of hydrogen bonds involving all available O-H and N-H donors. A strong imidazole-phosphonate C-H...O interaction is present in the structure.
authors.affiliation: Gerencia de Investigación y Aplicaciones, Centro Atómico Constituyentes, Comisión Nacional de Energía Atómica, Buenos Aires, Argentina. freire@tandar.cnea.gov.ar
authors.forename: Eleonora
authors.initials: E
authors.lastname: Freire
authors.forename: Daniel R
authors.initials: DR
authors.lastname: Vega
authors.forename: Ricardo
authors.initials: R
authors.lastname: Baggio
mesh_terms: D000838:Anions / Q000737:chemistry; D002412:Cations / Q000737:chemistry; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D007093:Imidazoles / Q000737:chemistry*; D015394:Molecular Structure; D063065:Organophosphonates / Q000737:chemistry*; D011108:Polymers / Q000737:chemistry
chemical_list: D000838:Anions; D002412:Cations; D007093:Imidazoles; D063065:Organophosphonates; D011108:Polymers; C547115:poly((mu2-aqua(mu3-1-hydroxy-2-(1H,3H-imidazol-3-ium-1-yl)ethylidenediphosphonato)potassium(I))monohydrate)