Cyclo-hexane-1,2-diammonium bis-(pyridine-2-carboxyl-ate)

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Understanding the solid-state packing and intermolecular interactions of organic salts is crucial for materials science.
• Cyclohexyl derivatives and pyridine-containing compounds are common motifs in pharmaceuticals and functional materials.

Purpose of the Study:

• To elucidate the crystal structure of the title dicationic salt.
• To characterize the hydrogen bonding and π-π interactions governing the crystal packing.

Main Methods:

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

Main Results:

• The dication features two ammonium groups in equatorial positions of a chair-shaped cyclohexyl ring.
• A layered network structure is formed through N-H⋯O and N-H⋯N hydrogen bonds between cations and anions.
• Weak π-π interactions between adjacent pyridine rings were observed with a centroid-centroid distance of 3.589(2) Å.

Conclusions:

• The crystal structure is stabilized by a combination of hydrogen bonding and π-π interactions.
• The equatorial positioning of ammonium groups influences the overall supramolecular architecture.
• This structural information provides insights into the design of novel organic materials.