2,3-Difluoro-4-formylphenylboronic acid

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding the structure-property relationships of organic molecules is crucial for designing new materials.
• Boronic acids are versatile compounds with applications in synthesis and materials science.
• Fluorinated organic compounds often exhibit unique electronic and structural properties.

Purpose of the Study:

• To elucidate the crystal structure of 2,3-difluoro-4-formylphenylboronic acid.
• To investigate the intermolecular interactions governing the solid-state organization of the title compound.
• To characterize the influence of fluorine and formyl substituents on the molecular conformation and packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonding and other non-covalent interactions was performed.
• Computational methods may be used to further analyze electronic properties and interactions (if applicable, otherwise omit).

Main Results:

• The formyl group is coplanar with the benzene ring, while the boronic acid group is twisted.
• Molecules form infinite chains through intermolecular O-H...O hydrogen bonds.
• These chains assemble into folded layers connected by hydrogen bonds, with layers further paired via B...F interactions.

Conclusions:

• The crystal structure reveals a complex network of hydrogen bonding and B-F interactions.
• The observed packing arrangement leads to a unique folded layer structure.
• This study provides insights into the supramolecular assembly of fluorinated boronic acids.