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Published on: August 22, 2016
Zoledronate complexes. I.
Eleonora Freire1, Daniel R Vega, Ricardo Baggio
1Gerencia de Investigación y Aplicaciones, Centro Atómico Constituyentes, Comisión Nacional de Energía Atómica, Buenos Aires, Argentina. freire@tandar.cnea.gov.ar
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.
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