Acta Crystallographica Section C

Volume 68, Part 1 (January 2012)

metal-organic compounds

fn3087 scheme

Acta Cryst. (2012). C68, m12-m16    [ doi:10.1107/S0108270111052036 ]

The conformations of two copper(I) complexes of 1H-benzimidazole-2(3H)-thione and thiosaccharinate

M. Dennehy, O. V. Quinzani, R. Faccio, E. Freire and Á.W. Mombrú

Abstract: (Acetonitrile-1[kappa]N)[[mu]-1H-benzimidazole-2(3H)-thione-1:2[kappa]2S:S][1H-benzimidazole-2(3H)-thione-2[kappa]S]bis([mu]-1,1-dioxo-1[lambda]6,2-benzothiazole-3-thiolato)-1:2[kappa]2S3:N;1:2[kappa]2S3:S3-dicopper(I)(Cu-Cu), [Cu2(C7H4NO2S2)2(C7H6N2S)2(CH3CN)] or [Cu2(tsac)2(Sbim)2(CH3CN)] [tsac is thiosaccharinate and Sbim is 1H-benzimidazole-2(3H)-thione], (I), is a new copper(I) compound that consists of a triply bridged dinuclear Cu-Cu unit. In the complex molecule, two tsac anions and one neutral Sbim ligand bind the metals. One anion bridges via the endocyclic N and exocyclic S atoms ([mu]-S:N). The other anion and one of the mercaptobenzimidazole molecules bridge the metals through their exocyclic S atoms ([mu]-S:S). The second Sbim ligand coordinates in a monodentate fashion ([kappa]S) to one Cu atom, while an acetonitrile molecule coordinates to the other Cu atom. The CuI-CuI distance [2.6286 (6) Å] can be considered a strong `cuprophilic' interaction. In the case of [[mu]-1H-benzimidazole-2(3H)-thione-1:2[kappa]2S:S]bis[1H-benzimidazole-2(3H)-thione]-1[kappa]S;2[kappa]S-bis([mu]-1,1-dioxo-1[lambda]6,2-benzothiazole-3-thiolato)-1:2[kappa]2S3:N;1:2[kappa]2S3:S3-dicopper(I)(Cu-Cu), [Cu2(C7H4NO2S2)2(C7H6N2S)3] or [Cu2(tsac)2(Sbim)3], (II), the acetonitrile molecule is substituted by an additional Sbim ligand, which binds one Cu atom via the exocylic S atom. In this case, the CuI-CuI distance is 2.6068 (11) Å.

Formula: [Cu2(C7H4NO2S2)2(C7H6N2S)2(C2H3N)] and [Cu2(C7H4NO2S2)2(C7H6N2S)3]

hkldisplay filedownload file

Structure factor file (CIF format) (397.1 kbytes)
[ doi:10.1107/S0108270111052036/fn3087Isup4.hkl ]
Contains datablock I

hkldisplay filedownload file

Structure factor file (CIF format) (431.0 kbytes)
[ doi:10.1107/S0108270111052036/fn3087IIsup5.hkl ]
Contains datablock II


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