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Related Experiment Video

Updated: Jun 1, 2026

Facile Preparation of 4-Substituted Quinazoline Derivatives

Facile Preparation of 4-Substituted Quinazoline Derivatives

Published on: February 15, 2016

8-Chloro-2-methyl-quinoline.

Tian-Quan Wu¹, Jian-Hua Wang, Fang Shen

¹College of Chemistry and Chemical Engineering, Hunan University, 410082 Changsha, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online

|May 18, 2011

Summary

This summary is machine-generated.

This study reveals π-π stacking interactions in a C(10)H(8)ClN compound, indicating specific crystal packing. The crystal was identified as a racemic twin with a distinct component ratio.

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Area of Science:

Crystal Engineering
Supramolecular Chemistry
Organic Chemistry

Background:

Understanding intermolecular forces is crucial for designing materials with desired properties.
π-π stacking interactions significantly influence crystal lattice structures and molecular assembly.
Racemic compounds present unique challenges and opportunities in crystal engineering.

Purpose of the Study:

To investigate the crystal packing and intermolecular interactions of the title compound C(10)H(8)ClN.
To characterize the presence and nature of π-π stacking in the crystal structure.
To determine the twinning characteristics of the studied crystal.

Main Methods:

Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
Analysis of the crystal packing revealed specific intermolecular contacts, including π-π stacking.
The crystal structure was analyzed for twinning, and the ratio of twin components was determined.

Main Results:

The crystal structure of C(10)H(8)ClN exhibits significant π-π stacking between its heterocyclic and aromatic rings.
The centroid-to-centroid distance for the observed π-π stacking was measured at 3.819 Å.
The crystal was confirmed to be a racemic twin with a composition ratio of 0.65(7):0.35(7).

Conclusions:

The C(10)H(8)ClN compound displays ordered crystal packing driven by π-π interactions.
The identified racemic twinning provides insights into the crystallization process and potential for chiral resolution.
These findings contribute to the understanding of structure-property relationships in related organic compounds.