N,N,2,4,6-Penta-methyl-anilinium hexa-fluoro-phosphate

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Materials Science

Background:

• Understanding the intermolecular interactions within crystalline salts is crucial for predicting their physical and chemical properties.
• Hydrogen bonding plays a significant role in the self-assembly and stability of crystal structures.

Purpose of the Study:

• To elucidate the crystal structure of the title salt, C11H18N(+)·PF6(-).
• To identify and characterize the hydrogen bonding interactions present in the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional arrangement of atoms.
• Analysis of the crystal structure involved identifying hydrogen bond donors and acceptors.

Main Results:

• The crystal structure was solved, revealing the precise arrangement of the organic cation (C11H18N+) and the hexafluorophosphate anion (PF6-).
• A significant N-H⋯F hydrogen bond was observed between the cation and anion.
• Additional weak C-H⋯F hydrogen bonds were identified between adjacent cations and anions, contributing to the overall crystal packing.

Conclusions:

• The crystal structure of the title salt is stabilized by a combination of strong N-H⋯F and weaker C-H⋯F hydrogen bonding.
• These interactions dictate the supramolecular architecture and influence the material's properties.