2-(2-Fluoro-4-nitro-phen-oxy)-3-nitro-pyridine.

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding the solid-state structure of organic molecules is crucial for predicting their physical and chemical properties.
• Fluorinated aromatic compounds and nitro-substituted heterocycles exhibit diverse applications in pharmaceuticals and materials science.

Purpose of the Study:

• To elucidate the detailed crystal structure of the title compound, C11H6FN3O5.
• To analyze the conformational preferences and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Geometric parameters, including dihedral angles and interatomic distances, were precisely measured.

Main Results:

• The dihedral angle between the aromatic rings was determined to be 72.4(3)°.
• The nitro groups exhibited dihedral angles of 40.8(2)° and 4.8(2)° with the pyridine and benzene rings, respectively.
• Significant π-π stacking interactions were observed between pyridine rings with a centroid-centroid separation of 3.800(3) Å.

Conclusions:

• The crystal structure of C11H6FN3O5 is characterized by specific torsional angles and notable π-π stacking.
• These structural features provide insights into the intermolecular forces governing the packing of fluorinated nitro-aromatic compounds.