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Updated: Jun 1, 2026
14:18
A Strategy for Sensitive, Large Scale Quantitative Metabolomics
Published on: May 27, 2014
2-(4-Formyl-2,6-dimeth-oxy-phenoxy)-acetic acid
Alain Collas1, Christophe M L Vande Velde, Frank Blockhuys
1Department of Chemistry, University of Antwerp, Universiteitsplein 1, B-2610 Wilrijk, Belgium.
Summary
This study details the molecular structure of C(11)H(12)O(6), revealing an aldehyde group with two disordered positions and a specific carboxyl chain conformation stabilized by hydrogen bonds.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure Analysis
Background:
- Understanding molecular conformation and bonding is crucial in organic chemistry.
- Detailed structural analysis provides insights into chemical properties and reactivity.
- C(11)H(12)O(6) is a compound of interest for its potential applications.
Purpose of the Study:
- To elucidate the precise three-dimensional structure of the title compound, C(11)H(12)O(6).
- To investigate the conformational preferences of the carboxyl-lic acid chain.
- To characterize the nature and role of intramolecular hydrogen bonding.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular structure.
- Analysis of atomic coordinates and bond lengths/angles.
- Identification and analysis of hydrogen bonding interactions.
Main Results:
- The aldehyde group exhibits positional disorder, occupying two sites with a 0.79:0.21 ratio.
- The carboxyl-lic acid chain adopts an [ap,ap] conformation.
- Two intramolecular O-H⋯O hydrogen bonds were identified, stabilizing the observed conformation.
Conclusions:
- The structural characterization of C(11)H(12)O(6) reveals significant molecular features.
- The observed disorder and specific conformation provide a basis for understanding its chemical behavior.
- Intramolecular hydrogen bonding plays a key role in dictating the compound's structure.
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