3-Carb-oxy-2-methoxy-phenyl-boronic acid

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Hydrogen bonding plays a crucial role in stabilizing molecular and crystal structures.
• Understanding the packing of organic molecules is essential for materials science and drug design.

Purpose of the Study:

• To elucidate the crystal structure of 3-COOH-2-CH(3)O-C(6)H(3)B(OH)(2).
• To investigate the role of intra- and inter-molecular hydrogen bonding in the compound's stability and structural organization.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonding interactions, including distances and angles, was performed.

Main Results:

• The molecular structure is characterized by an intramolecular O-H⋯O hydrogen bond, contributing to its stability.
• Intermolecular O-H⋯O hydrogen bonds link molecules into a two-dimensional sheet structure.
• The sheet structure is oriented parallel to the (11) crystallographic plane.

Conclusions:

• The compound exhibits a stable molecular architecture due to intramolecular hydrogen bonding.
• The crystal packing is dominated by intermolecular hydrogen bonds, leading to the formation of 2D supramolecular sheets.
• This structural insight is valuable for understanding the solid-state behavior of related boronic acid derivatives.