5-(Chloro-meth-yl)quinolin-8-yl acetate

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure Analysis

Background:

• Understanding the solid-state behavior of organic compounds is crucial for predicting their physical and chemical properties.
• Quinoline derivatives are a significant class of heterocyclic compounds with diverse applications in pharmaceuticals and materials science.

Purpose of the Study:

• To elucidate the three-dimensional molecular structure of the title compound, C(12)H(10)ClNO(2), in the crystalline state.
• To analyze the spatial arrangement of functional groups and their relationship with the quinoline core.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Analysis of bond lengths, bond angles, and torsion angles was performed.

Main Results:

• The title compound crystallizes with two independent molecules in the asymmetric unit, which are approximate mirror images.
• In both molecules, the chloro-methyl and acetate groups are positioned on the same side of the quinoline ring system.
• Specific dihedral and torsion angles were quantified, revealing the precise conformation of the functional groups relative to the quinoline core.

Conclusions:

• The crystal structure provides detailed insights into the conformational preferences of this quinoline derivative.
• The observed molecular symmetry and group orientations are key characteristics of its solid-state packing.