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Updated: Jun 1, 2026
14:18
A Strategy for Sensitive, Large Scale Quantitative Metabolomics
Published on: May 27, 2014
4-(4-Octyloxybenzo-yloxy)benzoic acid
Summary
This study details a key intermediate compound, C(22)H(26)O(5), crucial for synthesizing side-chain ligands used in polymeric liquid crystals. Its molecular structure features a coplanar octyl group and is stabilized by hydrogen bonds.
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 polymeric liquid crystals.
- Understanding the molecular structure and intermolecular interactions of intermediates is essential for efficient synthesis.
Purpose of the Study:
- To characterize the molecular structure of the title compound, C(22)H(26)O(5).
- To investigate the coplanarity of the octyl group with the central C(6)O moiety.
- To identify the stabilizing forces within the crystal structure.
Main Methods:
- X-ray crystallography was employed to determine the precise three-dimensional arrangement of atoms.
- Analysis of atomic coordinates to assess the planarity of the octyl group and the C(6)O moiety.
- Identification and analysis of intermolecular interactions, specifically hydrogen bonding.
Main Results:
- The title compound, C(22)H(26)O(5), was synthesized and structurally characterized.
- The octyl group was found to be coplanar with the central C(6)O moiety, with a maximum deviation of 0.161(5) Å for a carbon atom.
- The crystal structure is significantly stabilized by intermolecular O-H⋯O hydrogen bonds.
Conclusions:
- The title compound is a valuable intermediate for synthesizing side-chain ligands for polymeric liquid crystals.
- The observed coplanarity and hydrogen bonding provide insights into molecular packing and material properties.
- This structural information can guide the design of new ligands for advanced liquid crystal applications.
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