Hydronium (cycloheptylammonio)methylene-1,1-bisphosphonate (hydronium incadronate).
The structure of the title compound, H(3)O(+).C(8)H(18)NO(6)P(2)(-), adopts a zwitterionic form containing an alkylammonium group, a hydronium ion, and two negatively charged phosphonate groups. The cycloheptyl side chain adopts a twist-chair conformation. The crystal packing is dominated by an extensive hydrogen-bonding network.
Van Brussel
Erin M
EM
Department of Chemistry, University of Illinois, 600 South Mathews Avenue, Urbana, Illinois 61801, USA.
Gossman
William L
WL
Wilson
Scott R
SR
Oldfield
Eric
E
D001862:Bone Resorption / Q000188:drug therapy*; D018360:Crystallography, X-Ray; D004164:Diphosphonates / Q000737:chemistry*; D006860:Hydrogen Bonding; D006934:Hypercalcemia / Q000188:drug therapy; D008958:Models, Molecular; D013329:Structure-Activity Relationship
D004164:Diphosphonates; C071542:cimadronate