Synthesis and structural characterization of 2-mercapto-1-tert-butylimidazole and its Group 12 metal derivatives (HmimtBu)2MBr2 (M=Zn, Cd, Hg)

2-Mercapto-1-tert-butylimidazole (Hmim(tBu)) and its Group 12 metal complexes (Hmim(tBu))(2)MBr2 (M = Zn, Cd, Hg) have been readily prepared and structurally characterized. Whereas the former displays a dimeric structure in the solid state with two S...H-N interactions linking each pair of molecules, the four-coordinate complexes exhibit distorted tetrahedral geometries with the S-M-S angles in the range 103.2-135.2degrees The average M-Br bond lengths are 2.401, 2.567, and 2.688 Angstrom A for M D Zn, Cd, and Hg, respectively, and the corresponding average M-S bond distances are 2.350, 2.540, and 2.467 Angstrom. The average C-S bond length for all the complexes (1.72 Angstrom) is only ca. 0.02 Angstrom longer than the corresponding value in the free ligand. Hmim(tBu) is orthorhombic, space group Pbca, a = 10.1571(5) Angstrom, b = 9.7906(5) Angstrom, c = 17.6616(9) Angstrom, V = 1756.34(15) Angstrom(3), Z = 8; (Hmim(tBu))(2)ZnBr2 is monoclinic, space group C2/c; a = 17.187(3) Angstrom, b = 8.9908(17) Angstrom, c = 15.560(3) Angstrom, beta = 117.206(3) degrees, V = 2138.3(7) Angstrom(3), Z = 4; (Hmim(tBu))(2)CdBr2 is triclinic, space group P (1) over bar, a = 7.4625(6) Angstrom, b = 9.6149(9) Angstrom, c = 31.020(3) Angstrom, alpha = 93.485(2) degrees, beta = 94.579(2) degrees, gamma = 103.872(2) degrees, V = 2146.6(3) Angstrom(3), Z = 4; (Hmim(tBu))(2)HgBr2 is monoclinic, space group P2(1)/c, a = 6.8908(6) Angstrom, b = 10.2397(9) Angstrom, c = 29.859(3) Angstrom, beta = 94.364(2) degrees, V = 2100.7(3) Angstrom(3), Z = 4.