3-Ethyl-5-(4-meth-oxy-phen-oxy)-2-(pyridin-4-yl)-3H-imidazo[4,5-b]pyridine

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Crystal structure analysis provides fundamental insights into molecular conformation and intermolecular interactions.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(20)H(18)N(4)O(2).
• To investigate the spatial arrangement and intermolecular interactions 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 interatomic distances characterized the molecular conformation and packing.

Main Results:

• The imidazopyridine fused ring system was found to be nearly perpendicular (dihedral angle = 87.6°) to the attached benzene ring.
• The pyridine ring exhibited a dihedral angle of 35.5° relative to the imidazopyridine plane.
• Aromatic π-π stacking interactions between phenyl rings of adjacent molecules were identified as the primary stabilizing force, with specific centroid-centroid (3.772 Å), inter-planar (3.546 Å), and slippage (1.286 Å) distances.

Conclusions:

• The crystal structure of C(20)H(18)N(4)O(2) is characterized by a near-perpendicular orientation between its fused imidazopyridine and benzene rings.
• Intermolecular π-π stacking interactions play a significant role in the crystal packing and stability of this compound.
• The detailed structural information provides a basis for understanding the compound's physical and chemical properties.