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Synthesis and crystal structure of lithium alendronate

A new monovalent metal alendronate [Li(H4L)(H2O)2] [H5L = H2N(CH2)3C(OH)(PO3H2)2] (1) has been synthesized from lithium carbonate and alendronic acid and characterized by single-crystal X-ray diffraction as well as infrared spectroscopy, nuclear magnetic resonance, and electrospray mass spectrometry. Compound 1 is monomeric, and the four coordinate Li ion is coordinated by one oxygen of each phosphonate group and two waters in a distorted tetrahedral array. Extensive hydrogen bonding links each complex molecule to 10 others giving a 3-D supramolecular network.