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(2E,6E)-2,6-Difurfurylidenecyclo-hexa-none
Shi-Ying Ma1, Ze-Bao Zheng, Yi-Feng Sun
1Department of Chemistry and Environmental Science, Taishan University, 271021 Taian, Shandong, People's Republic of China.
Summary
This study details the molecular structure of C(16)H(14)O(3), revealing its symmetry and the spatial arrangement of its furan rings. The molecule exhibits E configuration around its carbon-carbon double bond.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure Analysis
Background:
- Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Symmetry and conformational analysis provide fundamental insights into molecular geometry.
Purpose of the Study:
- To elucidate the complete molecular structure of the title compound, C(16)H(14)O(3).
- To characterize the symmetry elements and conformational preferences of the molecule.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular structure.
- Analysis of crystallographic data revealed the presence of a mirror plane and the configuration around the C=C bond.
Main Results:
- The molecule C(16)H(14)O(3) is generated by crystallographic mirror symmetry.
- Two carbon atoms and one oxygen atom lie on the mirror plane.
- The molecule adopts an E configuration about the C=C bond.
- The dihedral angle between the furan rings was determined to be 16.1(2)°.
Conclusions:
- The crystal structure provides a definitive model for the molecular geometry of C(16)H(14)O(3).
- The observed symmetry and dihedral angle are key features influencing the molecule's overall shape and potential interactions.
