Studies in molecular structure, symmetry and conformation. Part XIV. Crystal and molecular structure of L-isoleucine hydrochloride monohydrate form II

Abstract

The crystal structure of a new form of L-isoleucine hydrochloride monohydrate C₆H₁₃O₂NHClH₂O (termed form II) has been determined using three-dimensional photographic data. This differs conformationally from the hydrochloride derivative (termed form I, Trommel and Bijvoet 1954) reported earlier. The crystal belongs to the orthorhombic space group P2₁2₁2₁ with cell dimensions, a=5.87±0.01, b=24.77±0.02 and c=6.85±0.01Å and four molecules per cell, ρ_obs=1.240g/cm³, ρ_cal=1.238 g/cm³, μ for CuKα=32.6 cm^-1.