METALATION OF 2-SULFANILAMIDOPYRIMIDINE (SULFADIAZINE) - X-RAY-DIFFRACTION STRUCTURE AND SOLUTION BEHAVIOR OF BIS(SULFADIAZINATO) MERCURY(II) BIS(DIMETHYLSULFOXIDE)

The X-ray crystal structure of Hg(Sulfa)(2) . 2DMSO (1) was determined . Compound 1 was obtained from the reaction of sulfadiazine (2-sulfani lamidopyrimidine (Sulfa-H)) with mercury(II) acetate in methanol and c rystallization in DMSO/methanol. The coordination geometry about the m ercury atom is approximately linear [N-Hg: 2.087(4) Angstrom; N-Hg-N: 175.0(2)degrees]. Two secondary DMSO molecules are loosely bound to th e mercury atom, [Hg-O(DMSO): 2.769(7) Angstrom]. No pi-aryl stacking i nteraction was observed in either the solid or solution state. The IR, electronic and H-1 and C-13 NMR spectral data for 1 suggest binding o f mercury to the sulfonamide nitrogen, in agreement with the crystal s tructure determination. Copyright (C) 1996 Elsevier Science Ltd