Hexane-1,6-diammonium bis-(pyridine-2-carboxyl-ate)

Area of Science:

• Crystal engineering
• Supramolecular chemistry
• Organic chemistry

Background:

• Hexa-methyl-enediammonium dications and pyridine-2-carboxylate anions are key components in supramolecular assemblies.
• Hydrogen bonding plays a crucial role in directing the formation of extended crystalline structures.
• Understanding ion interactions is vital for designing novel materials with specific properties.

Purpose of the Study:

• To synthesize and characterize a novel crystalline compound involving hexa-methyl-enediammonium and pyridine-2-carboxylate.
• To investigate the intermolecular interactions, particularly hydrogen bonding, within the crystal lattice.
• To explore the electronic properties of the carboxylate groups based on structural analysis.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Spectroscopic methods were used to confirm the compound's identity and purity.
• Analysis of bond lengths and angles provided insights into the electronic structure and hydrogen bonding network.

Main Results:

• The crystal structure revealed a 2D array formed by doubly protonated hexa-methyl-enediammonium dications and pyridine-2-carboxylate anions.
• Intermolecular N-H⋯O and N-H⋯N hydrogen bonds were identified as the primary driving forces for the array formation.
• Analysis of C-O bond lengths indicated delocalization within the carboxylate groups of the pyridine-2-carboxylate anions.

Conclusions:

• The compound represents a well-defined supramolecular assembly driven by specific hydrogen bonding interactions.
• The observed delocalization in the carboxylate groups suggests potential for electronic modulation within such structures.
• This study contributes to the understanding of crystal engineering principles using organic ions.