4-[2-(Hydrogen phosphonato)-2-hydroxy-2-phosphonoethyl]pyridinium.

Area of Science:

• Chemical Crystallography
• Molecular Structure Determination

Background:

• Understanding zwitterionic compounds is crucial in chemistry and materials science.
• The specific compound C(7)H(11)NO(7)P(2) has not been previously characterized in detail.

Purpose of the Study:

• To elucidate the crystal structure and intermolecular interactions of the title compound C(7)H(11)NO(7)P(2).

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonding patterns (O-H⋯O and N-H⋯O) was performed.

Main Results:

• The compound C(7)H(11)NO(7)P(2) was confirmed to exist as a zwitterion.
• The positive charge is localized on the protonated pyridyl nitrogen atom.
• The negative charge is distributed over one of the two phosphate groups.
• A three-dimensional network is formed via extensive O-H⋯O and N-H⋯O hydrogen bonds in the crystal.

Conclusions:

• The crystal structure reveals a stable zwitterionic form of C(7)H(11)NO(7)P(2).
• The hydrogen bonding network dictates the compound's solid-state architecture.
• This structural information is vital for potential applications in areas like supramolecular chemistry.