4-Chloro-benzoic acid-quinoline (1/1).

Area of Science:

• Crystallography
• Supramolecular Chemistry

Background:

• Understanding the intermolecular interactions of organic molecules is crucial for materials science.
• 4-chloro-benzoic acid and quinoline derivatives are common organic building blocks.

Purpose of the Study:

• To elucidate the crystal structure and intermolecular interactions of a co-crystal formed by 4-chloro-benzoic acid and a quinoline derivative.
• To analyze the hydrogen bonding network and molecular conformation within the crystal.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular structure and arrangement.
• Analysis of bond distances, bond angles, and dihedral angles provided insights into molecular geometry.
• Identification of hydrogen bonds (O-H···N and C-H···O) was performed.

Main Results:

• The 4-chloro-benzoic acid molecule exhibited near planarity, with a small dihedral angle between the carboxyl group and the benzene ring (2.9°).
• The co-crystal is stabilized by an O-H···N hydrogen bond between the carboxylic acid and the quinoline nitrogen.
• A significant dihedral angle of 44.75° was observed between the quinoline ring system and the benzoic acid benzene ring in the hydrogen-bonded unit.
• Intermolecular C-H···O hydrogen bonds further link the units, forming a layered structure parallel to the ab plane.

Conclusions:

• The crystal structure is dictated by a combination of strong O-H···N and weaker C-H···O hydrogen bonds.
• The observed molecular conformations and hydrogen bonding patterns provide insights into the self-assembly of these organic molecules.
• This study contributes to the understanding of co-crystal formation and supramolecular architecture in organic solids.