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Updated: Jun 1, 2026
06:16
MALDI-ToF MS Method for the Characterization of Synthetic Polymers with Varying Dispersity and End Groups
Published on: October 3, 2025
2,6-Difluoro-benzoic acid
Summary
This study details the crystal structure of a difluorinated benzoic acid derivative. It reveals specific hydrogen bonding patterns and molecular arrangements in its solid state.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the solid-state structure of organic molecules is crucial for predicting their physical and chemical properties.
- Fluorinated organic compounds exhibit unique characteristics due to fluorine's high electronegativity.
- Benzoic acid derivatives are fundamental building blocks in organic synthesis and medicinal chemistry.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(7)H(4)F(2)O(2).
- To investigate the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
- To characterize the dihedral angle between the benzene ring and the carboxylate group.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and intermolecular distances.
- Identification and analysis of hydrogen bonding networks.
Main Results:
- The dihedral angle between the benzene ring and the carboxylate group was determined to be 33.70(14)°.
- Inversion dimers, linked by O-H⋯O hydrogen bonds forming R(2)(2)(8) loops, were observed.
- These dimers are further organized into sheets parallel to the (102) plane via C-H⋯F hydrogen bonds.
Conclusions:
- The crystal structure of C(7)H(4)F(2)O(2) is characterized by specific hydrogen bonding motifs.
- The identified hydrogen bonds (O-H⋯O and C-H⋯F) dictate the formation of dimers and sheets, influencing the overall crystal packing.
- This structural information provides insights into the intermolecular forces governing the solid state of fluorinated benzoic acid derivatives.
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