3-Amino-phenyl-boronic acid monohydrate

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Boronic acids are versatile organic compounds with diverse applications.
• Understanding their solid-state structures is crucial for predicting reactivity and designing new materials.
• Hydrogen bonding plays a key role in the self-assembly of molecular crystals.

Purpose of the Study:

• To elucidate the crystal structure of the title boronic acid compound (C(6)H(8)BNO(2)·H(2)O).
• To investigate the intermolecular interactions governing the compound's self-assembly in the solid state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonding networks (O-H⋯O and N-H⋯O) was performed.

Main Results:

• The boronic acid molecules are almost planar, forming inversion dimers.
• These dimers are linked by O-H⋯O hydrogen bonds.
• Water molecules mediate the formation of [100] chains and (100) sheets through N-H⋯O hydrogen bonds.

Conclusions:

• The crystal structure is characterized by a hierarchical assembly of dimers, chains, and sheets.
• Hydrogen bonding dictates the specific supramolecular architecture observed.
• This detailed structural information provides a foundation for further studies on boronic acid derivatives.