4-Cyano-pyridinium chloride

Area of Science:

• Crystallography
• Chemical Physics
• Materials Science

Background:

• Understanding intermolecular forces is crucial in crystal engineering.
• Pyridinium salts are common organic compounds with diverse applications.
• The specific interactions within pyridinium chloride have been investigated to understand its structural properties.

Purpose of the Study:

• To determine the crystal structure of pyridinium chloride.
• To identify and characterize the intermolecular interactions present in the crystal lattice.
• To elucidate the role of hydrogen bonding and other weak interactions in stabilizing the crystal structure.

Main Methods:

• Single-crystal X-ray diffraction was employed to obtain the three-dimensional crystal structure.
• Analysis of the crystal structure involved identifying hydrogen bond donors and acceptors.
• Intermolecular interactions were further analyzed using geometric criteria.

Main Results:

• The crystal structure of pyridinium chloride (C(6)H(5)N(2)(+)·Cl(-)) was successfully determined.
• A significant N-H⋯Cl hydrogen bond was identified, linking the pyridinium cations and chloride anions.
• Weak C-H⋯Cl interactions were also observed, contributing to the overall crystal packing.

Conclusions:

• The crystal structure is stabilized by a combination of strong N-H⋯Cl hydrogen bonds and weaker C-H⋯Cl interactions.
• These findings provide insights into the supramolecular assembly of pyridinium salts.
• The detailed understanding of these interactions can inform the design of new materials with tailored properties.