X-ray powder diffraction data for the N-acylamino acids: ortho, meta, and para-methyl hippuric acids

N -acylamino acid isomers: ortho, meta , and para -methylhippuric acids, are specific xylene metabolites. Here, we report X-ray powder diffraction data, unit-cell parameters, and space groups for the three isomer (C 10 H 11 NO 3 ), [ ortho -methylhippuric acid 2 mHA, monoclinic P 2 1 / n cell, a = 8.522(1), b = 10.443(1), c = 10.734(1) A, β = 92.43(1)°, V = 954.5(1) A 3 ; meta -methylhippuric acid 3 mHA, monoclinic C 2/ c cell a = 20.0951(2), b = 10.485(1), c = 10.074(2) A, β = 119.08(1)°, V = 1933.9(1) A 3 ; para -methylhippuric acid 4 mHA, orthorhombic P 2 1 2 1 2 1 cell, a = 5.1794(7), b = 8.279(1), c = 22.276(2) A, V = 955.2(2) A 3 ], space group. In each case, all measured diffraction peaks were indexed and are consistent with the corresponding space group.