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3-formylphenylboronic acid.

Bartosz Zarychta¹, Jacek Zaleski, Andrzej Sporzyński

¹Institute of Chemistry, University of Opole, Oleska 48, 45-052 Opole, Poland.

Acta Crystallographica. Section C, Crystal Structure Communications

|May 8, 2004

Summary

This study details the molecular structure of a novel boronic acid derivative, C(7)H(7)BO(3). The research highlights its planar configuration and the significant impact of the formyl group on crystal packing through hydrogen bonding.

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Area of Science:

Crystallography
Organic Chemistry
Molecular Structure Analysis

Background:

Understanding the structure-property relationships of organic molecules is crucial in materials science.
Boronic acids are versatile compounds with applications in catalysis and medicinal chemistry.
The specific compound C(7)H(7)BO(3) was investigated for its unique structural features.

Purpose of the Study:

To elucidate the detailed molecular geometry of C(7)H(7)BO(3).
To analyze the influence of functional groups on the benzene ring and overall molecular conformation.
To investigate the intermolecular interactions governing the crystal packing.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.

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Analysis of bond lengths, bond angles, and planarity was performed.

Hydrogen bonding networks in the crystal lattice were identified.

Main Results:

The molecule C(7)H(7)BO(3) exhibits a planar structure with typical bond parameters.
The formyl group is coplanar with the benzene ring but causes minimal ring distortion.
The formyl group significantly influences crystal packing via O-H...O hydrogen bonds.

Conclusions:

The molecular structure of C(7)H(7)BO(3) is well-defined and characterized by planarity.
Intermolecular hydrogen bonding dictates the observed crystal packing.
The findings provide a foundation for understanding the solid-state behavior of similar boronic acid derivatives.