2-Chloro-6-methoxy-quinoline-3-carbaldehyde.

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• The quinoline scaffold is a prevalent heterocyclic motif in medicinal chemistry and materials science.
• Understanding the precise three-dimensional structure of quinoline derivatives is crucial for predicting their properties and reactivity.

Purpose of the Study:

• To elucidate the crystal structure and molecular geometry of the title compound, C(11)H(8)ClNO(2).
• To investigate the planarity of the quinoline fused-ring system and the orientation of the formyl substituent.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the molecular structure.
• Analysis of atomic coordinates and bond parameters provided insights into the molecular geometry.

Main Results:

• The quinoline fused-ring system of C(11)H(8)ClNO(2) was found to be planar, with a root-mean-square deviation of 0.0095 Å.
• The formyl group exhibited a slight deviation from the plane of the quinoline system, indicated by specific C-C-C-O torsion angles.

Conclusions:

• The study provides precise structural data for the title quinoline derivative.
• The observed planarity of the core ring system and the orientation of the formyl group offer valuable information for structure-property relationship studies in related compounds.