4-Chloro-phenyl quinoline-2-carboxyl-ate

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Quinoline derivatives are important scaffolds in medicinal chemistry.
• Understanding the solid-state structure of such compounds is crucial for predicting their properties.

Purpose of the Study:

• To elucidate the detailed molecular and crystal structure of a specific chlorinated quinoline compound (C16H10ClNO2).
• To analyze the conformational preferences and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the three-dimensional structure.
• Analysis of bond lengths, bond angles, dihedral angles, and intermolecular interactions (hydrogen bonds, van der Waals forces).

Main Results:

• The dihedral angle between the quinoline and benzene rings is 14.7°.
• The carboxylate group exhibits significant twists (17.7° and 32.1°) relative to the ring systems.
• Inversion dimers are formed through weak C-H⋯O interactions, creating R2(2)(14) loops.

Conclusions:

• The crystal packing is influenced by specific dihedral angles and weak intermolecular forces.
• The observed structural features provide insights into the solid-state behavior of this chlorinated quinoline derivative.