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Updated: Jun 1, 2026

A Strategy for Sensitive, Large Scale Quantitative Metabolomics
Published on: May 27, 2014
3-(2-Formyl-phen-oxy)propanoic acid
Alain Collas1, Christophe M L Vande Velde, Frank Blockhuys
1Department of Chemistry, University of Antwerp, Universiteitsplein 1, B-2610 Wilrijk, Belgium.
The crystal structure of C(10)H(10)O(4) reveals an unusual carboxyl group catemer motif, deviating from typical dimeric arrangements. This finding offers new insights into carboxylic acid group behavior in crystal packing and intermolecular interactions.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Carboxylic acids commonly form hydrogen-bonded dimers in crystal structures.
- Understanding crystal packing is crucial for predicting material properties.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(10)H(10)O(4).
- To investigate the specific arrangement and interactions of the carboxyl group within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of intermolecular interactions, including hydrogen bonding and C-H⋯O contacts, was performed.
Main Results:
- The carboxyl group adopts a syn conformation.
- A catemer motif, rather than the expected dimeric structure, was observed for the carboxyl group along the [100] direction.
- The three-dimensional crystal organization is stabilized by C-H⋯O and O-H⋯O interactions.
Conclusions:
- The study highlights an atypical supramolecular assembly of a carboxyl group in the solid state.
- The observed catemer motif provides new data on the diverse hydrogen bonding patterns of carboxylic acids.
- This structural information contributes to the broader understanding of crystal engineering and intermolecular forces.
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