Home – Home – Jornals – Journal of Structural Chemistry 2008 number 4

The X-ray analysis of a single crystal of Mg(C₁₂H₁₃N₄O₄S)₂⋅11H₂O, where (C₁₂H₁₃N₄O₄S)^- is the anion of 4-p-aminobenzenesulfamido-2,6-dimethoxypyrimidine (sulfadimethoxine) is carried out. Unit cell parameters are: а = 19.753(4) Å, b = 34.031(7) Å, c = 13.859(3) Å; β = 125.37(3)°, 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⋅5H₂O. The IR bands of ν_asymSO₂ and ν_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.