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Updated: Jun 1, 2026
11:51
Facile Preparation of 4-Substituted Quinazoline Derivatives
Published on: February 15, 2016
1-Ethyl-3-methyl-quinoxalin-2(1H)-one
Summary
This study details the crystal structure of a novel organic compound, C(11)H(12)N(2)O. The research reveals intermolecular hydrogen bonds and pi-pi stacking interactions, crucial for understanding molecular assembly.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the solid-state structure of organic compounds is essential for predicting their physical and chemical properties.
- Quinoxaline derivatives are known for their diverse applications in pharmaceuticals and materials science.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(11)H(12)N(2)O.
- To investigate the intermolecular interactions governing the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
- Analysis of intermolecular interactions, including hydrogen bonding and pi-pi stacking, was performed.
Main Results:
- The asymmetric unit contains two independent molecules of C(11)H(12)N(2)O.
- Intermolecular C-H⋯O hydrogen bonds were identified, linking the molecules into a cohesive network.
- Significant π-π contacts between quinoxaline rings (centroid-centroid distances ranging from 3.446 to 3.815 Å) and C-H⋯π interactions were observed.
Conclusions:
- The crystal structure is stabilized by a combination of hydrogen bonding and π-π stacking interactions.
- These interactions dictate the packing arrangement and influence the compound's solid-state properties.
- The findings contribute to the understanding of structure-property relationships in quinoxaline-based organic materials.
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