title: Methyl [hydr-oxy(phen-yl)phosphono-meth-yl]phospho-nate methanol solvate.
abstract: The title compound, C(8)H(12)O(7)P(2)·CH(4)O, is a monoesterified bis-phospho-nate (or 1-hydroxy-methyl-ene-1,1-bis-phospho-nic acid). These synthetic compounds are widely used in medicine to inhibit bone resorption in diseases like osteoporosis, and are characterized by a stable P-C-P group and are thus analogs of inorganic pyrophosphate. By masking one or several ionizable groups, introduced as phosphono-ester, it was anti-cipated the formation of prodrugs with higher lipophilicity that could facilitate the drug delivery and metabolization. Mol-ecules are paired by inter-molecular hydrogen bonds involving the phospho-nic groups. In addition, dimers are connected side-by-side, building infinite ribbons along the a-axis direction; these ribbons are cross-linked perpendicularly along the b-axis direction via a methanol solvent mol-ecule (disordered over two sites with occupancy factors ca 0.6 and 0.4), forming an extended inter-molecular hydrogen-bonded network. The H atoms of the methyl group in the main molecule are disordered equally over two positions.
authors.forename: Nathalie
authors.initials: N
authors.lastname: Dupont
authors.forename: Pascal
authors.initials: P
authors.lastname: Retailleau
authors.forename: Evelyne
authors.initials: E
authors.lastname: Migianu-Griffoni
authors.forename: Carole
authors.initials: C
authors.lastname: Barbey