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

DENNEHY MARIANA; OSCAR VALENTÍN QUINZANI; RICARDO FACCIO; ELEONORA FREIRE; ÁLVARO W. MOMBRU

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS

WILEY-BLACKWELL PUBLISHING, INC

Lugar: Londres; Año: 2012 vol. C68 p. 12 - 16

0108-2701

(Acetonitrile-1N)[-1H-benzimidazole-2(3H)-thione-1:2-2S:S][1H-benzimidazole-2(3H)-thione-2S]bis(-1,1-dioxo-16,2-benzothiazole-3-thiolato)-1:22S3:N;1:22S3:S3-dicopper(I)(Cu—Cu), [Cu2(C7H4NO2S2)2(C7H6N2S)2(CH3CN)]or [Cu2(tsac)2(Sbim)2(CH3CN)] [tsac is thiosaccharinate andSbim is 1H-benzimidazole-2(3H)-thione], (I), is a newcopper(I) compound that consists of a triply bridged dinuclearCu—Cu unit. In the complex molecule, two tsac anions andone neutral Sbim ligand bind the metals. One anion bridgesvia the endocyclic N and exocyclic S atoms (-S:N). The otheranion and one of the mercaptobenzimidazole moleculesbridge the metals through their exocyclic S atoms (-S:S).The second Sbim ligand coordinates in a monodentate fashion(S) to one Cu atom, while an acetonitrile moleculecoordinates to the other Cu atom. The CuI—CuI distance[2.6286 (6) A ° ] can be considered a strong ‘cuprophilic’ interaction.In the case of [-1H-benzimidazole-2(3H)-thione-1:22S:S]bis[1H-benzimidazole-2(3H)-thione]-1S;2S-bis(-1,1-dioxo-16,2-benzothiazole-3-thiolato)-1:22S3:N;1:22S3:S3-dicopper(I)(Cu—Cu), [Cu2(C7H4NO2S2)2(C7H6N2S)3] or [Cu2-(tsac)2(Sbim)3], (II), the acetonitrile molecule is substituted byan additional Sbim ligand, which binds one Cu atom via theexocylic S atom. In this case, the CuI—CuI distance is2.6068 (11) A ° .