Acta Crystallographica Section C

Crystal Structure Communications

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)
[ doi:10.1107/S0108270111052036/fn3087Isup4.hkl ]
Contains datablock I

hkldisplay filedownload file

Structure factor file (CIF format)
[ doi:10.1107/S0108270111052036/fn3087IIsup5.hkl ]
Contains datablock {vcif ERROR: unable to open file /journals/webproduction/sites/cjo-test/c/issues/2012/01/00/fn3087/fn3087IIsup5.hkl - exiting}


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