1,4-Phenyl-ene diallyl bis-(carbonate)

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding molecular structure and intermolecular forces is crucial in chemistry.
• Benzene derivatives are fundamental building blocks in organic synthesis.

Purpose of the Study:

• To elucidate the crystal structure of a specific C14H14O6 molecule.
• To analyze the spatial arrangement and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of intermolecular contacts, including hydrogen bonding and van der Waals forces.

Main Results:

• The molecule, C14H14O6, possesses a benzene core with para-substituted allyl carbonate groups.
• The substituents are twisted relative to the benzene ring plane, situated on an inversion center.
• Only weak C-H⋯O contacts were observed between the benzene ring and carbonate oxygen atoms.

Conclusions:

• The crystal structure reveals a unique twisted conformation of allyl carbonate substituents.
• The molecule exhibits limited intermolecular interactions, indicating potential for specific solid-state properties.