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Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
3-Chloro-2,4,5-trifluoro-benzoic acid
1Department of Applied Chemistry, Nanjing College of Chemical Technology, Geguan Road No. 265 Nanjing, Nanjing 210048, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|March 12, 2013
Summary
Researchers synthesized a novel trifluorobenzoic acid derivative via chlorination. Structural analysis revealed a twisted carboxyl group and intermolecular hydrogen bonding forming sheet-like crystal structures.
Area of Science:
- Organic Chemistry
- Crystallography
Background:
- 3-amino-2,4,5-trifluoro-benzoic acid is a key intermediate.
- Understanding molecular structure and crystal packing is crucial for material science.
Purpose of the Study:
- To synthesize and characterize a new chlorinated trifluorobenzoic acid derivative.
- To investigate the crystal structure and intermolecular interactions of the title compound.
Main Methods:
- Chemical synthesis involving chlorination.
- Single-crystal X-ray diffraction for structural determination.
Main Results:
- The title compound, C7H2ClF3O2, was successfully synthesized.
- The carboxyl group exhibits a twist of 6.8(1)° relative to the benzene ring.
- Molecules form centrosymmetric carboxylic acid dimers via O-H⋯O hydrogen bonds.
- These dimers arrange into sheets parallel to the (-103) plane.
Conclusions:
- The study provides the first structural characterization of this novel compound.
- The observed crystal packing highlights the role of hydrogen bonding in organizing molecules into extended networks.
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