[(5-Bromopyridinium-2-ylamino)(phosphono)methyl]phosphonate.
The title compound, C6H9BrN2O6P2, a micromolar inhibitor of the farnesyl pyrophosphate synthase, is a Z-isomer zwitterion with one negative phosphonate group and a protonated pyridine N atom. Two types of ribbons, both parallel to the a axis, formed by several centrosymmetrically related O-H...O and N-H...O hydrogen bonds are generated in the crystal structure. The resulting two-dimensional (001) "double-layered" networks are joined into a three-dimensional network via inversion-related halogen-oxygen interactions.
Matczak-Jon
Ewa
E
Department of Chemistry, Wrocław University of Technology, Wybrzeze Wyspiańskiego 27, 50-370 Wrocław, Poland. ewa.matczak-jon@pwr.wroc.pl
Slepokura
Katarzyna
K
Kafarski
Paweł
P
D003461:Crystallography; D006860:Hydrogen Bonding; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D015394:Molecular Structure; D063065:Organophosphonates / Q000737:chemistry*; D011726:Pyridinium Compounds / Q000737:chemistry*
C515696:((5-bromopyridinium-2-ylamino)(phosphono)methyl)phosphonate; D063065:Organophosphonates; D011726:Pyridinium Compounds