2-Chloro-8-methoxy-quinoline-3-carbaldehyde

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Quinoline derivatives are important scaffolds in medicinal chemistry and materials science.

Purpose of the Study:

• To elucidate the crystal structure and molecular geometry of a specific chloro-quinoline derivative (C(11)H(8)ClNO(2)).
• To analyze the planarity of the quinoline ring system and the orientation of the formyl substituent.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular structure.
• Analysis of atomic coordinates and bond lengths/angles provided geometric insights.

Main Results:

• The quinoline fused-ring system in C(11)H(8)ClNO(2) exhibits near-planarity, with a root-mean-square deviation of 0.020 Å.
• The formyl group is slightly non-planar with respect to the quinoline plane, indicated by the oxygen atom's deviation of 0.371(2) Å.

Conclusions:

• The determined crystal structure provides fundamental geometric data for this chloro-quinoline compound.
• The observed planarity and substituent orientation offer insights into potential intermolecular interactions and solid-state packing.