2-(3-Meth-oxy-phen-oxy)pyrimidine.

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Understanding molecular interactions is crucial for designing new materials.
• Crystal structure analysis reveals fundamental packing and bonding characteristics.
• Organic compounds with pyrimidine and benzene rings are building blocks for various functional molecules.

Purpose of the Study:

• To elucidate the crystal structure of the title compound C(11)H(10)N(2)O(2).
• To investigate the intermolecular interactions governing the solid-state arrangement.
• To characterize the supramolecular architecture formed in the crystal.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of dihedral angles and intermolecular distances was performed.
• Identification of non-covalent interactions, including C-H⋯π and π-π stacking, was conducted.

Main Results:

• The crystal structure of C(11)H(10)N(2)O(2) was determined, revealing a near-orthogonal orientation between the benzene and pyrimidine rings (dihedral angle = 84.40°).
• Significant C-H⋯π and π-π interactions (centroid-centroid separation = 3.7658 Å) were identified.
• These interactions facilitate the formation of a supramolecular array in the ac plane, with layers interdigitating along the b axis.

Conclusions:

• The title compound exhibits a unique crystal packing driven by specific intermolecular forces.
• The observed supramolecular arrangement provides insights into the solid-state behavior of such organic molecules.
• This structural information is valuable for predicting and controlling material properties.