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Updated: May 26, 2026

11:51
Facile Preparation of 4-Substituted Quinazoline Derivatives
Published on: February 15, 2016
N-(4-Chloro-phen-yl)quinolin-2-amine.
Acta Crystallographica. Section E, Structure Reports Online
|December 27, 2011
Summary
This study reveals a unique molecular conformation in C(15)H(11)ClN(2) due to a significant dihedral angle. This twist influences intermolecular interactions, forming layered crystal structures via C-H⋯π bonds.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- The molecule C(15)H(11)ClN(2) exhibits specific structural characteristics.
- Understanding molecular conformation is crucial for predicting chemical and physical properties.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of C(15)H(11)ClN(2).
- To investigate the influence of molecular conformation on crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular structure.
- Analysis of intermolecular contacts, including C-H⋯N and C-H⋯π interactions, was performed.
Main Results:
- A notable dihedral angle of 18.85(9)° was observed between the quinoline and benzene rings, indicating a twisted molecular conformation.
- A short C-H⋯N contact was identified, with the amine hydrogen and quinoline nitrogen atoms oriented oppositely.
- Supramolecular layers were formed in the ab plane through C-H⋯π interactions in the crystal lattice.
Conclusions:
- The observed twisted conformation of C(15)H(11)ClN(2) is a key feature influencing its crystal packing.
- Intermolecular C-H⋯N and C-H⋯π interactions play a significant role in mediating the formation of layered supramolecular structures.
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