Metallation of 2-sulfanilamidopyrimidine (sulfadiazine). X-ray diffraction structure and solution behaviour of bis(sulfadiazinato) mercury(II) bis(dimethylsulfoxide)

Abstract The X-ray crystal structure of Hg(Sulfa) 2 · 2DMSO ( 1 ) was determined. Compound 1 was obtained from the reaction of sulfadiazine (2-sulfanilamidopyrimidine (Sulfa-H)) with mercury(II) acetate in methanol and crystallization in DMSO/methanol. The coordination geometry about the mercury atom is approximately linear [N-Hg : 2087(4)A˚; N-Hg-N: 175.0(2)°]. Two secondary DMSO molecules are loosely bound to the mercury atom, [Hg-O(DMSO): 2.769(7)A˚]. No π-aryl stacking interaction was observed in either the solid or solution state. The IR, electronic and 1 H and 13 C NMR spectral data for 1 suggest binding of mercury to the sulfonamide nitrogen, in agreement with the crystal structure determination.