X-ray powder diffraction data for the N-acylamino acids: ortho, meta, and para-methyl hippuric acids. Issue 3 (September 2016)

• Record Type: Journal Article
• Authors: Delgado, Gerzon E.; Guillén, Marilia; Ramírez, Jeans W.; Mora, Asiloé J.; Contreras, Jines E.; Chacón, Cecilia
• Is Part Of: Powder diffraction. Volume 31:Issue 3(2016)
• Page Start: 242
• Page End: 247
• Publication Date: 2016-09
• Subjects: X-ray powder diffraction data, -- N-acylamino acids, -- hippuric acid derivatives, -- BTX metabolites; Powder metallurgy -- Periodicals; Materials -- Analysis -- Periodicals; 620.1127
• DOI: 10.1017/S0885715616000312
• Languages: English
• ISSNs: 0885-7156

Abstract

Abstract : 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 (C10 H11 NO3 ), [ ortho -methylhippuric acid 2 mHA, monoclinic P 21 / n cell, a = 8.522(1), b = 10.443(1), c = 10.734(1) Å, β = 92.43(1)°, V = 954.5(1) Å 3 ; meta -methylhippuric acid 3 mHA, monoclinic C 2/ c cell a = 20.0951(2), b = 10.485(1), c = 10.074(2) Å, β = 119.08(1)°, V = 1933.9(1) Å 3 ; para -methylhippuric acid 4 mHA, orthorhombic P 21 21 21 cell, a = 5.1794(7), b = 8.279(1), c = 22.276(2) Å, V = 955.2(2) Å 3 ], space group. In each case, all measured diffraction peaks were indexed and are consistent with the corresponding space group.