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Updated: May 24, 2026
08:43
Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
2-(4-Fluoro-phen-yl)-2-oxoethyl 2-methoxy-benzoate
Acta Crystallographica. Section E, Structure Reports Online
|February 21, 2012
Summary
This study details the crystal structure of a fluorinated organic compound. Molecular analysis reveals specific aromatic ring angles and intermolecular interactions forming a 3D network.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding molecular packing and intermolecular forces is crucial for predicting material properties.
- Fluorinated organic compounds exhibit unique electronic and physical characteristics.
- Crystal structure analysis provides fundamental insights into molecular behavior.
Purpose of the Study:
- To elucidate the crystal structure of the title compound C(16)H(13)FO(4).
- To investigate the intermolecular interactions and packing in the solid state.
- To determine the spatial arrangement of aromatic rings and identify hydrogen bonding networks.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and intermolecular contacts (C-H⋯O, C-H⋯F).
- Geometric analysis of aromatic ring orientations and π-π stacking interactions.
Main Results:
- The crystal structure of C(16)H(13)FO(4) was determined, revealing an inter-ring angle of 73.68(6)°.
- Molecules are interconnected into a 3D network via C-H⋯O and C-H⋯F hydrogen bonds.
- The shortest centroid-to-centroid distance between aromatic π-systems was found to be 3.6679(7) Å, specifically between fluorinated phenyl groups.
Conclusions:
- The study provides a detailed structural characterization of the fluorinated organic compound.
- Intermolecular interactions play a significant role in the self-assembly and network formation.
- The observed π-system interactions highlight potential for further studies in crystal engineering and materials design.
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