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Inicio » Actividades I+D > Publicaciones 2010 > Zoledronate complexes. II. catena-Poly[[...
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"Zoledronate complexes. II. catena-Poly[[tetraaquabis[hemihydrogen μ3-1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato-κ3O:O′:O″]bis[μ3-1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato-κ4O:O,O′:O″]trisodium] dihydrate]"
E. Freire, D.R. Vega and R. Baggio
Acta Cryst. C 66(4) (2010) m122-m126
The title compound, {[Na3(C5H9N2O7P2)2(C5H9.5N2O7P2)2(H2O)4]·2H2O}n, (II), is polymeric and consists of undulating chains parallel to [011] interconnected by hydrogen-bonding and π-π interactions. There are two independent Na+ cations in the asymmetric unit (one lying on an inversion centre), two zoledronate anions and three water molecules, two of which are coordinated and one of which is a free solvate. Each cation is surrounded in an octahedral fashion by O atoms from four different zoledronate units and two/one coordinated water molecules. The zoledronate groups present their usual zwitterionic character, with negative charges in the protonated phosphonates and a positive charge at the protonated imidazole N atom. Two symmetry-related phosphonate groups share (in the form of a very strong linear hydrogen bond) an H atom lying on a symmetry centre, midway between the O atoms involved. The zoledronate binding modes present in (II) are both unreported for bisphosphonate anions. Intra- and inter-chain interactions are enhanced by a variety of hydrogen bonds where all the available O–H and N–H donors are involved, in addition to a strong imidazole-phosphonate C–HO interaction, typical in these kinds of structures.
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