Structural Elucidation of Enantiopure and Racemic 2-Bromo-3-Methylbutyric Acid

摘要: Halogenated carboxylic acids have been important compounds in chemical synthesis and indispensable research tools biochemical studies for decades. Nevertheless, the number of structurally characterized simple α-brominated monocarboxylic is still limited. We herein report crystallization structural elucidation (R)- rac-2-bromo-3-methylbutyric acid (2-bromo-3-methylbutanoic acid, 1) to shed light on intermolecular interactions, particular hydrogen bonding motifs, packing modes preferred conformations solid-state. The crystal structures rac-1 are revealed by X-ray crystallography. Both crystallize triclinic system with Z = 2; (R)-1 exhibits two crystallographically distinct molecules. In crystal, forms homochiral O–H···O hydrogen-bonded dimers approximate non-crystallographic C2 symmetry. contrast, features centrosymmetric heterochiral same carboxy syn···syn homosynthon. denser than that its enantiopure counterpart (R)-1. molecules both adopt a virtually identical staggered conformation, despite different environments, which indicates molecular structure 1. Intermolecular interactions apart from classical bonds do not appear crucial bearing solid-state rac-1.