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The molecular and crystal structures of N- para -toluenesulphonyl- α -aminoisobutyric acid fluoride ( 1 ), N- para -toluenesulphonyl-N-methyl- α -aminoisobutyric acid fluoride ( 2 ), N- para -toluenesulphonyl- α -aminoisobutyric acid ( 3 ), and N- para -toluenesulphonyl-N-methyl- α -amino-isobutyric acid ( 4 ) have been determined by X-ray diffraction. Crystal parameters: ( 1 ) monoclinic, space group  P 2 1 / a ,  a  = 24.264(3) Å,  b  = 8.386(2) Å,  c  = 6.245(1) Å,  β  = 96.5(2)°, and  Z  = 4; ( 2 ) monoclinic, space group  P 2 1 / n ,  a  = 7.606(1) Å,  b  = 14.954(2) Å,  c  = 11.969(2) Å,  β  = 92.3(2)°, and  Z  = 4; ( 3 ) monoclinic, space group  P 2 1 / n ,  a  = 11.151(2) Å,  b  = 6.168(1) Å,  c  = 18.669(2) Å,  β  = 91.3(2)°, and  Z  = 4; ( 4 ) monoclinic, space group  P 2 1 / c ,  a  = 11.993(2) Å,  b  = 10.322(2) Å,  c  = 12.123(2) Å,  β  = 115.9(2)°, and  Z  = 4. The structures were solved by direct methods. The least-squares refinements led to conventional  R  factors of 0.044, 0.059, 0.045, and 0.056 for ( 1 )–( 4 ), respectively. This is the first geometrical and conformational characterization at atomic resolution of two N  α  -protected  α -aminoacids containing the elusive acyl fluoride C-activating group.[unk]

Molecular and crystal structures of two N α -protected α -aminoacyl fluorides and their free carboxylic acid synthetic precursors 1