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Updated: Jun 1, 2026
11:51
Facile Preparation of 4-Substituted Quinazoline Derivatives
Published on: February 15, 2016
2,2,7-Trimethyl-2,3-dihydro-quinazolin-4(1H)-one
Ling Zhang1, Daxin Shi, Yanqiu Fan
1School of Chemical Engineering and Environment, Beijing Institute of Technology, Beijing 100081, People's Republic of China.
Summary
Two molecules of the title compound, C(11)H(14)N(2)O, were identified in the crystal structure. These molecules form dimers through hydrogen bonds, revealing insights into the compound's solid-state arrangement.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding the solid-state structure of organic compounds is crucial for predicting their physical and chemical properties.
- The title compound, C(11)H(14)N(2)O, represents a novel molecular framework with potential applications.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(11)H(14)N(2)O.
- To analyze the molecular conformation and intermolecular interactions in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of bond lengths, angles, and hydrogen bonding patterns was performed.
Main Results:
- Two independent molecules of C(11)H(14)N(2)O were found in the asymmetric unit.
- The heterocyclic ring adopted a sofa conformation, with a significant displacement of the substituted carbon atom.
- Molecules are organized into centrosymmetric dimers through N-H⋯O hydrogen bonds.
Conclusions:
- The crystal structure of C(11)H(14)N(2)O reveals a distinct sofa conformation of the heterocyclic ring.
- Intermolecular hydrogen bonding dictates the dimeric assembly in the solid state, influencing crystal packing.
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