Diethyl 4,4'-(ethane-1,2-diyldi-oxy)dibenzoate

Area of Science:

• Organic Chemistry
• Crystallography
• Molecular Structure

Background:

• Synthesis of novel organic compounds is crucial for materials science.
• Understanding molecular geometry and intermolecular forces informs chemical properties.

Purpose of the Study:

• To synthesize and characterize a new organic compound with the formula C(20)H(22)O(6).
• To elucidate the molecular structure, including planarity and functional group orientation.
• To investigate intermolecular interactions stabilizing the crystal lattice.

Main Methods:

• Chemical synthesis involving ethyl 4-hydroxy-benzoate and 1,2-dichloro-ethane in dimethyl-formamide.
• X-ray crystallography to determine the precise three-dimensional structure.
• Analysis of atomic coordinates and bond distances to assess planarity and identify interactions.

Main Results:

• The title compound, C(20)H(22)O(6), was successfully synthesized.
• The molecule crystallizes around an inversion center, with the asymmetric unit being half the molecule.
• The molecule exhibits significant planarity, with ethyl, carboxyl, aryl, and O-CH(2) groups being coplanar.
• Weak intermolecular C-H⋯O hydrogen bonds and C-H⋯π interactions were identified, contributing to the 3D network.

Conclusions:

• The synthesis yielded the target compound C(20)H(22)O(6).
• The crystal structure demonstrates a planar molecular conformation.
• Intermolecular forces play a role in the stabilization of the crystal structure.