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Facile Preparation of 4-Substituted Quinazoline Derivatives

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¹Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.

Acta Crystallographica. Section E, Structure Reports Online

|May 18, 2011

Summary

This summary is machine-generated.

The crystal structure of C(8)H(5)ClN(2) reveals planar molecules forming a supramolecular chain through weak chlorine-chlorine interactions. These interactions are evidenced by short Cl⋯Cl distances between adjacent molecules.

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Area of Science:

Crystallography
Solid-state chemistry
Supramolecular chemistry

Background:

Understanding intermolecular forces is crucial for predicting material properties.
Chlorine-chlorine interactions, though weak, can influence crystal packing and material assembly.
Supramolecular chemistry explores the design and synthesis of functional systems held together by non-covalent interactions.

Purpose of the Study:

To elucidate the crystal structure of the title compound, C(8)H(5)ClN(2).
To investigate the nature and influence of intermolecular interactions, specifically chlorine-chlorine contacts, on the molecular arrangement.
To determine the formation of supramolecular architectures driven by these interactions.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the three-dimensional crystal structure.
Analysis of intermolecular distances and coordination numbers to identify significant interactions.
Visualization of crystal packing and supramolecular assembly.

Main Results:

The title compound, C(8)H(5)ClN(2), crystallizes with planar molecular geometry.
Weak chlorine-chlorine interactions were identified, with distances of 3.808(1) Å and 3.881(1) Å.
These Cl⋯Cl interactions facilitate the formation of a one-dimensional supramolecular chain.

Conclusions:

The crystal structure of C(8)H(5)ClN(2) is characterized by planar molecules.
Weak Cl⋯Cl interactions play a significant role in directing crystal packing.
The observed interactions lead to the formation of a supramolecular chain, highlighting the importance of halogen bonding in crystal engineering.