STRUCTURE OF THE SODIUM-SALT OF META-XYLENESULFONATE MONOHYDRATE

Sodium 4-m-xylenesulfonate monohydrate, Na+.C8H9SO3-.H2O, M(r) = 226.2, monoclinic, P2(1)/c, a = 15.750 (5), b = 8.783 (2), c = 7.625 (2) angstrom, beta = 99.82 (3)-degrees, V = 1039 (1) angstrom 3, Z = 4, D(x) = 1.45 g cm-3, Mo K-alpha, lambda = 0.71073 angstrom, mu = 3.23 cm-1, F(000) = 472, T = 294 K, R = 0.036, wR = 0.036 for 2434 observations. The structure is formed by alternative stacks of m-xylenesulfonate and water molecules along the c axis, with O-H...O hydrogen bonds. The Na ions are situated at the centres of octahedra formed with O atoms of the SO3 group and water molecule.