4-Benzyl-4-methyl-morpholinium hexa-fluoro-phosphate.

Area of Science:

• Crystallography
• Inorganic Chemistry

Background:

• Morpholinium salts are organic cations with potential applications in various chemical fields.
• Hexafluorophosphate anions (PF(6)(-)) are commonly used in coordination chemistry and electrochemistry.

Purpose of the Study:

• To elucidate the detailed crystal structure of a specific morpholinium hexafluorophosphate compound.
• To investigate the conformational preferences of the morpholinium cation and the disorder in the hexafluorophosphate anion.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of the diffraction data allowed for the identification of atomic positions and disorder.

Main Results:

• The asymmetric unit contains two cation-anion pairs of the formula C(12)H(18)NO(+)·PF(6)(-).
• Significant disorder was observed in the six fluorine atoms of the hexafluorophosphate anion, distributed over two sites with a 0.592:0.408 ratio.
• The morpholinium rings were found to adopt chair conformations in the crystal lattice.

Conclusions:

• The study provides a precise structural characterization of the morpholinium hexafluorophosphate salt.
• The observed anion disorder and cation conformation offer insights into the packing forces and stability of such ionic compounds.