[(5-Bromopyridinium-2-ylamino)(phosphono)methyl]phosphonate

Acta Crystallogr C. 2006 Mar;62(Pt 3):o132-5. doi: 10.1107/S0108270106002423. Epub 2006 Feb 11.

Abstract

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Crystallography
  • Hydrogen Bonding
  • Magnetic Resonance Spectroscopy
  • Models, Molecular
  • Molecular Structure
  • Organophosphonates / chemistry*
  • Pyridinium Compounds / chemistry*

Substances

  • ((5-bromopyridinium-2-ylamino)(phosphono)methyl)phosphonate
  • Organophosphonates
  • Pyridinium Compounds