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Chemo-enzymatic Synthesis of N-glycans for Array Development and HIV Antibody Profiling

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2',3,4,4'-Tetra-meth-oxy-chalcone.

Johannes H van Tonder¹, Theunis J Muller, Barend C B Bezuidenhoudt

¹Department of Chemistry, University of the Free State, PO Box 339, Bloemfontein, 9300, South Africa.

Acta Crystallographica. Section E, Structure Reports Online

|May 19, 2011

Summary

This summary is machine-generated.

This study details the molecular structure of 1-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one. Crystal packing analysis reveals stabilizing intermolecular C-H⋯O interactions, with a weak intramolecular interaction also observed.

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Area of Science:

Organic Chemistry
Crystallography
Molecular Structure

Background:

Chalcones are a significant class of organic compounds with diverse biological activities.
Understanding the precise molecular geometry and crystal packing is crucial for structure-activity relationship studies.

Purpose of the Study:

To elucidate the detailed three-dimensional molecular structure of 1-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one.
To investigate the intermolecular and intramolecular interactions influencing its crystal lattice.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Analysis of bond lengths, bond angles, and torsion angles provided insights into molecular conformation.
Crystal structure analysis identified specific intermolecular and intramolecular interactions.

Main Results:

The dihedral angle between the two phenyl rings in 1-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one was determined to be 26.88(5)°.
One methoxy group exhibited a slight twist (torsion angle of -12.8(3)°), while others were nearly coplanar.
Crystal packing is primarily stabilized by intermolecular C-H⋯O interactions, alongside a weak intramolecular C-H⋯O interaction.

Conclusions:

The study provides a precise structural characterization of the title chalcone derivative.
The observed conformation and crystal packing are influenced by specific non-covalent interactions.
This structural data can serve as a foundation for further investigations into its chemical and biological properties.