Zoledronate complexes. I. Poly[[mu2-aqua[mu3-1-hydroxy-2-(1H,3H-imidazol-3-ium-1-yl)ethylidenediphosphonato]potassium(I)] monohydrate]

Acta Crystallogr C. 2010 Jan;66(Pt 1):m13-6. doi: 10.1107/S0108270109054006. Epub 2009 Dec 24.

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Anions / chemistry
  • Cations / chemistry
  • Crystallography, X-Ray
  • Hydrogen Bonding
  • Imidazoles / chemistry*
  • Molecular Structure
  • Organophosphonates / chemistry*
  • Polymers / chemistry

Substances

  • Anions
  • Cations
  • Imidazoles
  • Organophosphonates
  • Polymers
  • poly((mu2-aqua(mu3-1-hydroxy-2-(1H,3H-imidazol-3-ium-1-yl)ethylidenediphosphonato)potassium(I))monohydrate)