2-Methyl-7-nitro-2,3-dihydro-1-benzofuran
Mei-Li Feng1, Yu-Feng Li, Shan Liu
1Department of Applied Chemistry, College of Science, Nanjing University of Technology, Nanjing 210009, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
The study reveals the specific three-dimensional shape of a dihydro-furan ring in a nitro-substituted compound. This analysis details the conformation and nitro group orientation within the molecule.
Area of Science:
- Organic Chemistry
- Crystallography
Background:
- Understanding molecular structure is crucial in organic chemistry.
- Dihydro-furan derivatives are important in various chemical syntheses.
Purpose of the Study:
- To determine the precise three-dimensional structure of a specific nitro-substituted dihydro-furan compound.
- To analyze the conformational preferences of the dihydro-furan ring and the orientation of the nitro group.
Main Methods:
- Single-crystal X-ray diffraction was employed to elucidate the molecular structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided conformational data.
Main Results:
- The dihydro-furan ring adopts an envelope conformation.
- The nitro group is slightly twisted out of the plane of the attached benzene ring, with a dihedral angle of 21.9(1)°.
Conclusions:
- The study provides detailed structural insights into nitro-substituted dihydro-furan compounds.
- The observed conformation and nitro group twist offer valuable data for theoretical and synthetic chemists.
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