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Benzene-1,3,5-triyl triacetate.

Alan H Haines¹, David L Hughes

¹School of Chemistry, University of East Anglia, Norwich NR4 7TJ, England.

Acta Crystallographica. Section E, Structure Reports Online

|May 18, 2011

Summary

This summary is machine-generated.

This study details the crystal structure of C(12)H(12)O(6), revealing a propeller-like arrangement of acetoxy groups. Molecular interactions primarily involve C-H⋯π-ring and C-H⋯O contacts, influencing crystal packing.

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Area of Science:

Crystallography
Organic Chemistry
Molecular Structure

Background:

Understanding molecular arrangements is crucial in organic chemistry.
Crystal structure analysis provides insights into intermolecular forces.

Purpose of the Study:

To elucidate the crystal structure of the title compound C(12)H(12)O(6).
To analyze the arrangement of acetoxy groups and identify intermolecular interactions.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Analysis of bond lengths, angles, and non-covalent interactions was performed.

Main Results:

The asymmetric unit contains two identical molecules related by a pseudo-inversion center.
Acetoxy groups exhibit a propeller-like tilt relative to the central C(6) ring.
Key intermolecular interactions include C-H⋯π-ring and C-H⋯O contacts.

Conclusions:

The study provides a detailed structural characterization of C(12)H(12)O(6).
The observed molecular conformation and intermolecular contacts dictate the packing in the crystal lattice.