Single-crystal X-ray diffraction dataset for 3,5-difluoro-2,6-bis(4-iodophenoxy)-4-phenoxypyridine

Area of Science:

• Materials Science
• Crystallography
• Polymer Chemistry

Background:

• Partially fluorinated polymers offer unique properties but require tailored precursors.
• Understanding intermolecular interactions is crucial for designing novel monomers.
• Regioselective reactions are essential for controlled synthesis of complex organic molecules.

Purpose of the Study:

• To elucidate the crystal structure of 3,5-difluoro-2,6-bis(4-iodophenoxy)-4-phenoxypyridine.
• To investigate the role of halogen bonding and other non-covalent interactions in the solid-state packing.
• To demonstrate the utility of this compound in synthesizing monomers for diverse polymer architectures.

Main Methods:

• X-ray structure analysis to determine the precise arrangement of molecules in the crystal lattice.
• Analysis of intermolecular interactions, including C-I∙∙∙I-C halogen bonding and Ar-H∙∙∙π interactions.
• Synthetic procedures for preparing monomers from the characterized pyridine derivative.

Main Results:

• The asymmetric unit contains two molecules of 3,5-difluoro-2,6-bis(4-iodophenoxy)-4-phenoxypyridine.
• Type I and Type II C-I∙∙∙I-C halogen bonding interactions were identified as key stabilizing forces.
• The crystal packing is further reinforced by Ar-H∙∙∙π interactions.
• The compound successfully served as a precursor for synthesizing monomers for linear and network polymers.

Conclusions:

• The crystal structure provides insights into the intermolecular forces governing the packing of fluorinated pyridine derivatives.
• The identified halogen bonding interactions are significant for crystal engineering and material design.
• This work facilitates the development of novel partially fluorinated polymers with tailored properties through regioselective synthesis.