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artículo con referato
"Alendronate zwitterions bind to calcium cations arranged in columns"
D. Fernández, D. Vega and A. Goeta
Acta Cryst. C 59(12) (2003) m543-m545
Alendronate is used clinically in the treatment of skeletal disorders, the mode of action depending on the adsorption to calcium hydroxyapatite crystals (bone). In the title compound, calcium 4-ammonium-1-hydroxybutylidene-1,1-bisphosphonate, Ca2+·2C4H12NO7P2-, alendronate is a zwitterion, possessing one negative charge on each PO3 group and a protonated N atom. The zwitterion is disposed with its negative end facing the Ca2+ ion, while its positive end is stretched in the opposite direction. The geometry of the carbon chain is all-trans, while the hydroxy group is approximately gauche. The Ca2+ ion lies on a twofold axis parallel to b. The coordination sphere around the metal cation is octahedral and is determined by monodentate- and bidentate-coordinated alendronate zwitterions. The OO bite distance is 3.080 (2) Å. Coordinated Ca2+ metal cations are arranged at the centre of a column running along c.
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