CRYSTAL-STRUCTURES OF 2 POLYMORPHIC FORMS OF BIS-(ZINC-DIBUTYLDITHIOPERCARBAMATE)

Bis(zinc-dibutyldithiopercarbamate)/I crystallizes in two polymorphic forms herein named as I alpha and I beta. I alpha: (C18H36N2O2S4Zn)(2), space group P2(1)/n (Nr. 14), a = 18.402(4) Angstrom, b = 13.788(5) Angstrom, c = 20.449(3) Angstrom, beta = 91.55(1)degrees, V = 5186.6 Angstrom(3), Z = 4; D-X = 1.295 g cm(-3), MoKalpha (lambda = 0.71069 Angstrom), mu = 12.93 cm(-1), F(000) = 2144, T = 293 K, conventional R = 0.081, R(W) = 0.112 for 4121 observed reflections. I beta: (C18H36N2O2S4Zn)(2), space group P2(1)/c (Nr. 14), a = 9.742(2) Angstrom, b = 18.569(3) Angstrom, c = 15.083(4) Angstrom, beta = 108.62(2)degrees; V = 2585.8 Angstrom(3), Z = 2; D-X = 1.299 g cm(-3), MoKalpha (lambda = 0.71069 Angstrom), mu = 12.97 cm(-1), F(000) = 1072, T = 293 K, conventional R = 0.134, R(W) = 0.141 for 2217 observed reflections. In both crystalline forms the molecules of I build up dimers consisting of two C18H36N2O2S4Zn units and in which two zinc atoms are linked by two oxygen bridges forming a central four membered ring. All molecules have same configuration but there are remarkable conformational differences.