5-(5-Bromo-2-meth-oxy-phen-yl)-2-fluoro-pyridine

Area of Science:

• Organic Chemistry
• Crystallography
• Chemical Physics

Background:

• Understanding molecular interactions is crucial in materials science.
• The synthesis and characterization of halogenated heterocyclic compounds are of significant interest.

Purpose of the Study:

• To elucidate the crystal structure and intermolecular interactions of a novel C12H9BrFNO compound.
• To analyze the spatial arrangement of aromatic rings and the methoxy group within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided insights into molecular conformation.
• Intermolecular forces were assessed based on crystal packing.

Main Results:

• The dihedral angle between the two aromatic rings was determined to be 51.39(5)°.
• The methoxy group's carbon atom was found to be nearly coplanar with its attached ring (r.m.s. deviation = 0.0172 Å).
• The methoxy group is oriented away from the pyridine ring, and molecules interact via van der Waals forces in the crystal.

Conclusions:

• The study provides a detailed structural characterization of the title compound.
• The findings contribute to the understanding of structure-property relationships in halogenated aromatic systems.
• The observed molecular geometry and intermolecular forces dictate the bulk properties of the crystalline material.