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Updated: Jun 5, 2026
14:18
A Strategy for Sensitive, Large Scale Quantitative Metabolomics
Published on: May 27, 2014
4-(4-Propoxybenzo-yloxy)benzoic acid
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details a key intermediate compound, C(17)H(16)O(5), crucial for synthesizing side-chain ligands used in polymeric liquid crystals. Its crystal structure reveals specific dihedral angles and stabilization via hydrogen bonding.
Area of Science:
- Materials Science
- Crystallography
- Organic Chemistry
Background:
- Polymeric liquid crystals are advanced materials with applications in displays and optical devices.
- The synthesis of functional side-chain ligands is critical for tailoring the properties of these polymers.
- Understanding the molecular structure of intermediates is essential for efficient ligand synthesis.
Purpose of the Study:
- To characterize the crystal structure of the intermediate compound C(17)H(16)O(5).
- To provide insights into the molecular geometry relevant for synthesizing side-chain ligands for polymeric liquid crystals.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles was performed.
- Identification of intermolecular interactions, such as hydrogen bonding, was conducted.
Main Results:
- The crystal structure of C(17)H(16)O(5) was successfully determined.
- Specific dihedral angles between the propoxy, benzoic acid groups, and the central benzoyloxy unit were quantified (4.36(6)° and 55.35(6)°).
- An intermolecular O-H⋯O hydrogen bond was identified as a stabilizing factor in the crystal lattice.
Conclusions:
- The title compound C(17)H(16)O(5) is a vital intermediate in the synthesis pathway for liquid crystal ligands.
- The determined structural parameters offer valuable information for the rational design of new materials.
- The presence of hydrogen bonding influences the solid-state packing and stability of the intermediate.
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