2-Amino-pyridinium trifluoro-acetate

Area of Science:

• Crystallography
• Supramolecular Chemistry

Background:

• The study investigates the solid-state structure of a salt formed between 2-amino-pyridinium cations and trifluoro-acetate anions.
• Understanding the packing and interactions in such ionic compounds is crucial for materials science and drug design.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(5)H(7)N(2)⁺·C(2)F(3)O(2)⁻.
• To identify and characterize the intermolecular interactions governing the crystal packing.

Main Methods:

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

Main Results:

• The asymmetric unit contains four independent 2-amino-pyridinium cations and four trifluoro-acetate anions.
• Cation-anion pairs, featuring an R₂(2)(8) ring motif, are formed via N-H⋯O hydrogen bonds.
• These pairs further assemble into two independent chains along the [100] direction through additional N-H⋯O hydrogen bonds.
• C-H⋯O, C-H⋯F hydrogen bonds, and π–π interactions (centroid-centroid separation = 3.6007(17) Å) contribute to the overall crystal architecture.

Conclusions:

• The crystal structure is stabilized by a network of hydrogen bonds and π–π interactions.
• The observed arrangement highlights the self-assembly capabilities of organic cations and anions in the solid state.