title: Monosodium [1-hydroxy-2-(1H-imidazol-3-ium-4-yl)ethane-1,1-diyl]bis(phosphonate) tetrahydrate (monosodium isozoledronate).
abstract: The title compound, Na(+).C(5)H(9)N(2)O(7)P(2)(-).4H(2)O, is an isomer of zoledronate, a potent bone antiresorptive bisphosphonate drug having significant activity against several parasitic protozoa. The crystal structure of isozoledronate consists of bisphosphonate dimers coordinated by two Na(+) ions. The dimers are held together through an extensive hydrogen-bonding network. The crystals exhibit non-merohedral twinning that roughly superimposes the a and b axes, and inverts the c axis.
authors.affiliation: University of Illinois, Department of Chemistry, 600 South Mathews Avenue, Urbana, Illinois 61801, USA.
authors.forename: William L
authors.initials: WL
authors.lastname: Gossman
authors.forename: Scott R
authors.initials: SR
authors.lastname: Wilson
authors.forename: Eric
authors.initials: E
authors.lastname: Oldfield
mesh_terms: D018360:Crystallography, X-Ray; D011756:Diphosphates / Q000737:chemistry*; D004164:Diphosphonates / Q000737:chemistry*; D006860:Hydrogen Bonding; D007093:Imidazoles / Q000737:chemistry*; D007536:Isomerism; D015394:Molecular Structure; D000077211:Zoledronic Acid
chemical_list: D011756:Diphosphates; D004164:Diphosphonates; D007093:Imidazoles; C472316:monosodium-(1-hydroxy-2-(1H-imidazol-3-ium-4-yl)ethane-1,1-diyl)bis(phosphonate) tetrahydrate; D000077211:Zoledronic Acid