4-(3-Carb-oxy-phen-yl)pyridinium nitrate

Area of Science:

• Crystal Engineering
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Understanding the solid-state structures of organic salts is crucial for predicting their properties.
• Pyridinium derivatives are important in various chemical applications.
• Hydrogen bonding plays a key role in the self-assembly of molecular structures.

Purpose of the Study:

• To elucidate the crystal structure of the title pyridinium nitrate salt.
• To investigate the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
• To characterize the supra-molecular architecture formed by the cations and anions.

Main Methods:

• Single-crystal X-ray diffraction analysis was performed on the title salt.
• The crystal structure was solved and refined to determine atomic positions and bond lengths.
• Analysis of hydrogen bonding networks (O-H⋯O, N-H⋯O, C-H⋯O) was conducted.

Main Results:

• The crystal structure of 4-(3-carboxyphenyl)pyridinium nitrate was determined.
• A significant dihedral angle of 30.14(2)° was observed between the pyridine and benzene rings of the cation.
• Cations form dimers via O-H⋯O hydrogen bonds, and these dimers assemble into supra-molecular chains through N-H⋯O and C-H⋯O interactions with nitrate anions.

Conclusions:

• The study provides detailed structural insights into a specific pyridinium nitrate salt.
• The observed hydrogen bonding patterns dictate the formation of a unique supra-molecular chain structure.
• This structural information contributes to the broader understanding of crystal engineering and supramolecular assembly in organic salts.