CRYSTAL AND MOLECULAR-STRUCTURE OF DL-ASPARTIC ACID NITRATE MONOHYDRATE

DL-aspartic acid nitrate monohydrate, (C4H8NO4)(+) (NO3)(-). H2O, M = 214.128, triclinic, P ($) over bar 1, a = 5.680(1) Angstrom, b = 7.331 (2) Angstrom, c = 10.812(1) Angstrom, alpha = 76.74(1)degrees, beta = 105.33(1)degrees, gamma = 96.41(1)degrees, V = 422.0 Angstrom(3), D-m = 1.66 g cm(-3) (flotation), D-c = 1.685 g cm(-3,) Z = 2, mu = 1.561 c m(-1,) lambda(MoK alpha) = 0.70926 Angstrom. The crystal structure was solved by direct, Fourier and difference-Fourier methods and refined by full-matrix least-squares technique to an R = 0.041 and wR = 0.049 for 1249 unique reflections. The aspartic acid molecule exists in cati onic form by the protonation of the alpha-carboxylic group. All the hy drogen atoms were located by difference-Fourier-syntheses.