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Crystal structure of bis-(rhodanine)copper(I) iodide, C6H6CuIN2O2S4

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Abstract

The structure of the polymeric rhodanine compound

, C6H6CuIN2O2S4, was determined by X-rays.M r =456.8, monoclinic, space groupP21/c,a=4.1947(7),b=17.6999(12),c=17.1048(8) Å,β=96.15(1)°,V c =1262.6 Å3,Z=4,D c =2.40Mg m−3, CuKα radiation (graphite crystal monochromator, λ=1.54056 Å),μ(CuKα)=278.9 cms-1,F(000)=872,T=290 K. Final conventionalR-factor=0.029, andR w =0.044 for 2384 unique reflections and 153 variables. The structure was solved using Patterson methods andDirdif, and refined by full-matrix least-squares methods. The compound forms zigzag chains

alonga. The copper atom is in trigonal pyramidal coordination, with two sulfur atoms of the thiocarbonyl group and two bridging iodine atoms. The copper-sulfur distances are 2.278(1) and 2.299(1) Å, and the copper-iodine distances are 2.657(1) and 2.814(1) Å.

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Authors and Affiliations

  1. Crystallography Laboratory, University of Nijmegen, Toernooiveld, 6525, ED Nijmegen, The Netherlands

    F. G. Moers, J. M. M. Smits & Paul T. Beurskens

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  1. F. G. Moers
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  2. J. M. M. Smits
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  3. Paul T. Beurskens
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Moers, F.G., Smits, J.M.M. & Beurskens, P.T. Crystal structure of bis-(rhodanine)copper(I) iodide, C6H6CuIN2O2S4 . Journal of Crystallographic and Spectroscopic Research 16, 101–106 (1986). https://doi.org/10.1007/BF01566050

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  • DOI: https://doi.org/10.1007/BF01566050

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