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Crystal structures of two polymorphic forms of bis-(zinc-dibutyldithiopercarbamate)

Published/Copyright: July 28, 2010

Abstract

Bis(zinc-dibutyldithiopercarbamate)/I crystallizes in two polymorphic forms herein named as Iα and Iβ. Iα: (C18H36N2O2S4Zn)2, space group P21/n (Nr. 14), a = 18.402(4) Å, b = 13.788(5) Å, c = 20.449(3) Å, β = 91.55(1)°, V = 5186.6 Å3, Z = 4; Dx = 1.295 g cm−3, MoKα(λ = 0.71069 Å), μ = 12.93 cm−1, F(000) = 2144, T = 293 K, conventional R = 0.081, Rw = 0.112 for 4121 observed reflections. Iβ: (C18H36N2O2S4Zn)2, space group P21/c (Nr. 14), a = 9.742(2) Å, b = 18.569(3) Å, c = 15.083(4) Å, β = 108.62(2)°; V = 2585.8 Å3, Z =2; Dx = 1.299 g cm−3, MoKα (λ = 0.71069 Å), μ = 12.97 cm−1, F(000) = 1072, T = 293 K, conventional R = 0.134, Rw = 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.

Published Online: 2010-7-28
Published in Print: 1995-10-1

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