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Green Synthesis of Quinoline-Based Ionic Liquid

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Published on: September 27, 2024

2-Chloro-quinoline-3-carbaldehyde.

F Nawaz Khan, R Subashini, Rajesh Kumar

Acta Crystallographica. Section E, Structure Reports Online

|May 18, 2011

Summary

The study details the planar structure of a specific quinolinyl compound (C10H6ClNO). Its formyl group exhibits a slight deviation from the fused ring system

Area of Science:

Crystallography and structural chemistry.
Organic chemistry and molecular structure analysis.

Background:

Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
Fused heterocyclic systems, such as quinolines, are prevalent scaffolds in medicinal chemistry and materials science.

Purpose of the Study:

To elucidate the detailed molecular geometry of the title compound, C10H6ClNO.
To investigate the planarity of the quinolinyl fused ring system and the orientation of the formyl substituent.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the atomic coordinates and bond parameters.
Analysis of the crystal structure included assessing the planarity of the fused ring system and calculating key torsion angles.

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Main Results:

The quinolinyl fused ring system of C10H6ClNO was found to be planar, with a root-mean-square deviation of 0.018 Å.
The formyl group attached to the ring system displayed a slight deviation from planarity, indicated by a C-C-C-O torsion angle of 8.2(3)°.

Conclusions:

The structural analysis confirms the planarity of the core quinolinyl framework in the title compound.
The observed slight non-planarity of the formyl group provides specific geometric insights relevant to the molecule's conformation and potential interactions.