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(2E,5E)-2,5-Difurfurylidenecyclo-penta-none
1Department of Chemistry and Environmental Science, Taishan University, 271021 Taian, Shandong, People's Republic of China.
Summary
This study details the near-planar structure of a C(15)H(12)O(3) molecule, revealing specific dihedral angles between its five-membered rings. Crystal packing is further stabilized by intermolecular hydrogen bonds.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- The specific molecule C(15)H(12)O(3) presents an interesting case with multiple five-membered rings.
Purpose of the Study:
- To determine the precise molecular geometry of the C(15)H(12)O(3) molecule.
- To investigate the intermolecular interactions and crystal packing in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to analyze the crystal structure.
- Geometric parameters, including dihedral angles, were calculated from the diffraction data.
Main Results:
- The three five-membered rings within the C(15)H(12)O(3) molecule were found to be nearly coplanar.
- Specific dihedral angles were measured: 3.5(2)° and 9.7(2)° between the cyclopentanone and furan rings, and 7.2(2)° between the two furan rings.
- Weak intermolecular C-H⋯O hydrogen bonds were identified as key stabilizing forces in the crystal lattice.
Conclusions:
- The C(15)H(12)O(3) molecule adopts a highly planar conformation in the solid state.
- Intermolecular hydrogen bonding plays a significant role in the efficient crystal packing of this compound.
