4,6-Dichloro-5-(2-meth-oxy-phen-oxy)-2,2'-bipyrimidine

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding molecular interactions is crucial in crystal engineering.
• Previous studies have explored pyrimidine derivatives for their diverse applications.

Purpose of the Study:

• To elucidate the crystal structure and intermolecular interactions of a novel dichloro-pyrimidine compound.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of intermolecular contacts, including C⋯N and C-H⋯π interactions, was performed.

Main Results:

• The dichloro-pyrimidine and methoxy-phenoxy moieties exhibit an approximate perpendicular orientation (dihedral angle = 89.9°).
• A dihedral angle of 36.3° was observed between the two pyrimidine rings.
• The crystal packing is dominated by short intermolecular C⋯N contacts (3.206 Å) and C-H⋯π interactions, with no observed hydrogen bonds.

Conclusions:

• The study provides detailed insights into the solid-state structure of the title compound.
• The identified intermolecular interactions are key to the observed crystal packing.