Structure of hexaaquamagnesium (II) bis(4-p-aminobenzenesulfamido-2,6-dimethoxypyrimidinate) pentahydrate

The X-ray analysis of a single crystal of Mg(C12H13N4O4S)(2)center dot 11H(2)O, where (C12H13N4O4S)(-) is the anion of 4-p-aminobenzenesulfamido-2,6-dimethoxypyrimidine (sulfadimethoxine) is carried out. Unit cell parameters are: a = 19.753(4) angstrom, b = 34.031(7) angstrom, c = 13.859(3) angstrom; beta = 125.37(3)degrees, C2/c, Z = 8, R(F) = 0.042. The structure is built of [Mg(OH2)(6)](2+), (C12H13N4O4S)(-), and water molecules and corresponds to the formula [Mg(OH2)(6)](C12H13N4O4S)(2)center dot 5H(2)O. The IR bands of nu asymSO2 and nu symSO2 are bathochromically shifted as a result of their participation in hydrogen bonding, and not because of any direct coordination of sulfadimethoxinate anion to the complexing atom through oxygen.