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Updated: Jun 1, 2026
06:46
Facile Preparation of (2Z,4E)-Dienamides by the Olefination of Electron-deficient Alkenes with Allyl Acetate
Published on: June 21, 2017
1-[2-(3,5-Difluoro-benz-yloxy)phen-yl]ethanone
Ya-Tuan Ma1, Xin-Wei Shi, Qi Shuai
1College of Science, Northwest A&F University, Yangling 712100, People's Republic of China.
Summary
The study details the crystal structure of a difluorinated organic compound. Analysis reveals a significant dihedral angle between its aromatic rings and no close intermolecular contacts in its crystal packing.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties.
- Fluorinated organic compounds exhibit unique electronic and physical characteristics due to the high electronegativity of fluorine.
Purpose of the Study:
- To characterize the crystal structure of the title compound, C(15)H(12)F(2)O(2).
- To analyze the spatial relationship between the aromatic rings within the molecule.
- To investigate intermolecular interactions in the crystalline state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of the crystal structure involved measuring the dihedral angle between aromatic rings.
- Crystal packing was examined for short intermolecular contacts.
Main Results:
- The dihedral angle between the two aromatic rings in the title compound was determined to be 70.43(4)°.
- The crystal structure analysis revealed no unusually short intermolecular contacts.
- The molecular geometry is influenced by the presence of two fluorine atoms and an oxygen-containing functional group.
Conclusions:
- The determined dihedral angle provides insight into the conformational preferences of the molecule.
- The absence of significant intermolecular contacts suggests weak crystal packing forces.
- This structural information is valuable for understanding structure-property relationships in fluorinated organic materials.
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