rac-Hy-droxy-isovaleric acid.

Area of Science:

• Crystallography
• Organic Chemistry
• Chemical Physics

Background:

• The title compound is rac-2-hydroxy-3-methylbutanoic acid, a constitutional isomer of alpha-hydroxy-butanoic acid.
• Understanding the solid-state structure of organic molecules is crucial for predicting their physical and chemical properties.

Purpose of the Study:

• To determine the crystal structure of rac-2-hydroxy-3-methylbutanoic acid.
• To investigate the intermolecular interactions, specifically hydrogen bonding, in the crystalline state of this compound.

Main Methods:

• Single-crystal X-ray diffraction was used to analyze the crystal structure.
• Analysis of hydrogen bonding patterns to understand crystal packing.

Main Results:

• The crystal structure of rac-2-hydroxy-3-methylbutanoic acid (C5H10O3) was elucidated.
• Centrosymmetric dimers were observed, formed by hydrogen bonds involving the alcoholic hydroxyl group.
• These dimers extend into sheets perpendicular to the crystallographic c axis.

Conclusions:

• The crystal packing of rac-2-hydroxy-3-methylbutanoic acid is dominated by hydrogen bonding.
• The observed dimeric and sheet-like structures provide insight into the solid-state behavior of this isomer.