4,4'-Bipyridine-5-fluoro-isophthalic acid (1/1)

Area of Science:

• Materials Science
• Crystallography
• Supramolecular Chemistry

Background:

• Investigating the self-assembly of organic molecules is crucial for designing novel materials.
• Hydrogen bonding and other non-covalent interactions play a key role in crystal engineering.

Purpose of the Study:

• To synthesize and characterize a new co-crystal formed from 5-fluoro-isophthalic acid and 4,4 '-bipyridine.
• To elucidate the crystal structure and supramolecular architecture of the resulting compound.

Main Methods:

• Co-crystallization of 5-fluoro-isophthalic acid (H(2)fip) with 4,4 '-bipyridine (bipy) in a 1:1 molar ratio.
• Single-crystal X-ray diffraction analysis to determine the molecular and crystal structure.
• Analysis of intermolecular interactions, including hydrogen bonds and C-H···F interactions.

Main Results:

• Formation of the title compound [(H(2)fip)(bipy)] with a 1:1 acid-base molar ratio.
• The crystal structure exhibits an alternating arrangement of acid and base subunits, forming a wave-like tape motif.
• Intermolecular O-H⋯N and C-H⋯O hydrogen bonds (R(2)(7) synthon) link the subunits, while C-H⋯F interactions further assemble the structure into a 2D architecture.

Conclusions:

• The co-crystallization successfully yielded a novel supramolecular structure.
• The study highlights the role of specific hydrogen bonding and C-H⋯F interactions in directing the formation of 2D architectures.
• This work contributes to the understanding of crystal engineering principles for designing functional materials.