9-Ethyl-10-methyl-acridinium trifluoro-methane-sulfonate

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding molecular conformation and intermolecular interactions is crucial in crystal engineering.
• Organic cations with triflate anions offer unique structural and electronic properties.

Purpose of the Study:

• To elucidate the crystal structure and intermolecular interactions of the title compound, C(16)H(16)N(+)·CF(3)SO(3) (-).
• To investigate the role of non-covalent interactions in the solid-state packing.

Main Methods:

• Single-crystal X-ray diffraction analysis.
• Analysis of intermolecular interactions including hydrogen bonds, π-π stacking, and S-O⋯π contacts.

Main Results:

• The central ring of the title compound adopts a flattened-boat conformation.
• Two aromatic rings are oriented at a dihedral angle of 3.94(2)°.
• Weak intermolecular hydrogen bonds, π-π contacts (centroid-centroid distances ranging from 3.814(2) to 3.945(2) Å), and an S-O⋯π contact were identified.

Conclusions:

• The crystal structure is stabilized by a combination of hydrogen bonding and various π-related interactions.
• The observed S-O⋯π contact highlights an unusual interaction involving the triflate anion and the organic cation.