2-(2-Meth-oxy-phen-oxy)pyrazine.

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding molecular conformation and intermolecular interactions is crucial in crystal engineering.
• The study focuses on a specific organic molecule with potential applications in materials science.

Purpose of the Study:

• To elucidate the crystal structure and molecular geometry of the title compound C(11)H(10)N(2)O(2).
• To investigate the intermolecular interactions governing crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
• Analysis of bond lengths, bond angles, and torsion angles provided detailed geometric information.
• Intermolecular interactions, including π-π stacking, were quantified.

Main Results:

• A notable dihedral angle of 72.79° was observed between the pyrazine and benzene rings.
• The methoxy group exhibited near-planarity with the attached benzene ring (torsion angle of 175.83°).
• Centrosymmetric dimers were identified, stabilized by π-π interactions between pyrazine rings with a centroid-centroid distance of 3.8534 Å.

Conclusions:

• The crystal structure is characterized by significant non-planarity between the aromatic rings.
• Weak π-π interactions play a key role in the self-assembly of molecules into dimers.
• The findings contribute to the understanding of structure-property relationships in organic crystalline materials.