4,6-Dimethoxy-2-phthalimidopyrimidine: sheets built from pi-stacked hydrogen-bonded chains

Area of Science:

• Crystallography and Materials Science
• Supramolecular Chemistry

Background:

• Understanding the self-assembly of organic molecules is crucial for designing new materials.
• The title compound, C(14)H(11)N(3)O(4), exhibits interesting structural properties.

Purpose of the Study:

• To investigate the supramolecular aggregation modes of the title compound.
• To compare these aggregation modes with those of structurally related analogues.

Main Methods:

• X-ray crystallography was used to determine the molecular structure and packing.
• Analysis of intermolecular interactions, including hydrogen bonding and pi-pi stacking.

Main Results:

• The title compound's molecules possess approximate twofold rotational symmetry.
• Molecules form chains via C-H...O hydrogen bonds.
• Chains further assemble into sheets through pi-pi stacking interactions.

Conclusions:

• The study elucidates the specific mechanisms of supramolecular assembly for the title compound.
• Comparison with analogues provides insights into structure-property relationships in molecular aggregation.