2,9-Bis(4-pyridylmeth-oxy)-1,10-phenanthroline

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• 1,10-phenanthroline derivatives are important in coordination chemistry and materials science.
• Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.

Purpose of the Study:

• To elucidate the detailed molecular geometry of the title compound, C(24)H(18)N(4)O(2).
• To investigate intermolecular interactions, specifically pi-pi stacking, within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of dihedral angles and inter-ring distances provided insights into the molecule's conformation.

Main Results:

• The dihedral angles between the phenanthroline core and its pyridine rings were determined to be 82.52° and 71.58°.
• A significant dihedral angle of 53.54° was observed between the two pyridine rings.
• π-π stacking interactions between 1,10-phenanthroline rings were confirmed, with centroid-centroid distances of approximately 3.6 Å.

Conclusions:

• The non-planar conformation of the molecule is established by the measured dihedral angles.
• The observed π-π stacking interactions are key features of the crystal packing and may influence the material's bulk properties.