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Diethyl 4,4'-(3,6-dioxaoctane-1,8-diyl-dioxy)dibenzoate
Zhen Ma1, Haisha Qin, Gang Lai
1School of Chemistry and Chemical Engeneering, Guangxi University, Guangxi 530004, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|March 14, 2012
Summary
Researchers synthesized a novel organic compound, C(24)H(30)O(8), using ethyl 4-hydroxybenzoate and 1,2-dichloroethane. Structural analysis revealed specific molecular conformations and near-planar arrangements of its aromatic and carbonyl groups.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Ethyl 4-hydroxybenzoate is a common organic ester.
- 1,2-dichloroethane is a chlorinated hydrocarbon solvent.
- Understanding molecular conformation is crucial in organic synthesis.
Purpose of the Study:
- To synthesize and characterize a novel organic compound.
- To determine the molecular structure and conformation of the synthesized compound.
- To investigate the spatial arrangement of functional groups within the molecule.
Main Methods:
- Chemical synthesis involving the reaction of ethyl 4-hydroxybenzoate with 1,2-dichloroethane.
- X-ray crystallography to determine the precise three-dimensional structure.
- Analysis of bond angles, torsion angles, and atomic deviations.
Main Results:
- The title compound, C(24)H(30)O(8), was successfully synthesized.
- The molecule crystallizes with a unique symmetry, occupying a crystallographic inversion center.
- Distinct conformations were observed for the ethylene bridges (anti and gauche), with a specific O-C-C-O torsion angle of 74.2°.
- Benzene rings exhibited near-planarity with adjacent ethoxycarbonyl groups (r.m.s. deviation of 0.078 Å).
Conclusions:
- The synthesis yielded a well-defined organic molecule with specific structural features.
- The observed conformations provide insights into the stereochemistry of the compound.
- The structural data contributes to the understanding of molecular packing and interactions in the solid state.
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