[Amino-(iminio)meth-yl]phospho-nate

Area of Science:

• Crystallography
• Molecular Chemistry
• Supramolecular Chemistry

Background:

• Zwitterions are neutral molecules with distinct positive and negative charges.
• Phosphonic acids are organic compounds containing a C-PO(OH)2 group.
• Hydrogen bonding plays a crucial role in molecular self-assembly.

Purpose of the Study:

• To elucidate the zwitterionic nature and molecular geometry of CH(5)N(2)O(3)P.
• To investigate the crystal packing and intermolecular interactions.
• To understand the formation of the supramolecular network.

Main Methods:

• X-ray crystallography was used to determine the molecular structure and crystal packing.
• Analysis of bond lengths, angles, and intermolecular interactions (hydrogen bonds).
• Geometric analysis of the central carbon atom.

Main Results:

• The compound CH(5)N(2)O(3)P exists as a zwitterion with a protonated imino group and deprotonated phosphonic acid group.
• The molecular geometry around the central carbon atom is strictly planar (sum of angles = 360°).
• Extensive O-H⋯O and N-H⋯O hydrogen bonds link molecules into a 3D supramolecular network.

Conclusions:

• The study confirms the zwitterionic character and planar geometry of the title compound.
• Hydrogen bonding is the primary driving force for the formation of the observed 3D supramolecular architecture.
• The findings contribute to understanding the structure-property relationships in zwitterionic phosphonates.