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Facile Preparation of 4-Substituted Quinazoline Derivatives

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4-Chloro-2,5-dimethyl-quinoline.

K Prabha, K N Vennila, K J Rajendra Prasad

Acta Crystallographica. Section E, Structure Reports Online

|May 19, 2011

Summary

This summary is machine-generated.

This study details the crystal structure of a C(11)H(10)ClN compound. Molecules exhibit near-planar geometry and stack along the a-axis with specific ring separations.

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Area of Science:

Crystallography
Organic Chemistry
Materials Science

Background:

Understanding molecular packing is crucial for predicting material properties.
Planar organic molecules often exhibit unique electronic and optical behaviors.

Purpose of the Study:

To determine the precise crystal structure of the C(11)H(10)ClN compound.
To analyze the intermolecular interactions and packing arrangements.

Main Methods:

Single-crystal X-ray diffraction analysis.
Analysis of molecular planarity and atomic coordinates.

Main Results:

The C(11)H(10)ClN molecules are essentially planar, with a root-mean-square deviation of 0.009 Å for non-hydrogen atoms.
Molecules stack along the a-axis.
Centroids of benzene and pyridine rings show alternating separations of 3.649(1) Å and 3.778(1) Å.

Conclusions:

The determined crystal structure provides a foundation for further studies on this compound.
The observed planar geometry and stacking arrangement suggest potential for pi-pi interactions and electronic coupling.