2,4,6-Trimethyl-pyridinium dihydrogen phosphate

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Chemical Physics

Background:

• Understanding the crystal packing and intermolecular interactions of organic salts is crucial for materials science.
• Phosphate salts with organic cations are widely studied for their diverse structural and physical properties.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(8)H(12)N(+)·H(2)PO(4) (-).
• To investigate the hydrogen bonding network governing the self-assembly of anions and cations in the solid state.

Main Methods:

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

Main Results:

• The asymmetric unit contains two phosphate anions and two 2,4,6-trimethyl-pyridinium cations.
• Phosphate anions form supra-molecular chains via O-H⋯O hydrogen bonds along the a axis.
• Cations link to anion chains through N-H⋯O hydrogen bonds, with additional weak C-H⋯O interactions observed.

Conclusions:

• The crystal structure is stabilized by a network of hydrogen bonds, including anion-anion, cation-anion, and weak C-H⋯O interactions.
• The observed hydrogen bonding pattern dictates the formation of extended supra-molecular structures in the solid state.