Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 4 (April 2013)

metal-organic compounds

Acta Cryst. (2013). C69, 344-347    [ ]

A one-dimensional coordination polymer of 5-[(imidazol-1-yl)methyl]benzene-1,3-dicarb­oxy­lic acid with CuII cations

R. Patra and I. Goldberg

Abstract: 5-[(Imidazol-1-yl)methyl]benzene-1,3-dicarb­oxy­lic acid (H2L) was synthesized and the dimethyl­formamide- and dimethyl­acetamide-solvated structures of its adducts with CuII, namely catena-poly[[copper(II)-bis­[[mu]-3-carb­oxy-5-[(imidazol-1-yl)methyl]benzoato]] di­methyl­form­amide disolvate], {[Cu(C12H9N2O4)2]·2C3H7NO}n, (I), and catena-poly[[copper(II)-bis­[[mu]-3-carb­oxy-5-[(imid­azol-1-yl)methyl]benzoato]] dimethyl­acet­amide disolvate], {[Cu(C12H9N2O4)2]·2C4H9NO}n, (II), the formation of which are associated with mono-deprotonation of H2L. The two structures are isomorphous and isometric. They consist of one-dimensional coordination polymers of the organic ligand with CuII in a 2:1 ratio, [Cu([mu]-HL)2]n, crystallizing as the dimethyl­formamide (DMF) or dimethyl­acetamide (DMA) disolvates. The CuII cations are characterized by a coordination number of six, being located on centres of crystallographic inversion. In the polymeric chains, each CuII cation is linked to four neighbouring HL- ligands, and the organic ligand is coordinated via Cu-O and Cu-N bonds to two CuII cations. In the corresponding crystal structures of (I) and (II), the coordination chains, aligned parallel to the c axis, are further inter­linked by strong hydrogen bonds between the noncoordinated carb­oxy groups in one array and the coordinated carboxyl­ate groups of neighbouring chains. Mol­ecules of DMF and DMA (disordered) are accommodated at the inter­face between adjacent polymeric assemblies. This report provides the first structural evidence for the formation of coordination polymers with H2L via multiple metal-ligand bonds through both carboxyl­ate and imidazole groups.

Formula: [Cu(C12H9N2O4)2]·2C3H7NO and [Cu(C12H9N2O4)2]·2C4H9NO

hkldisplay filedownload file

Structure factor file (CIF format) (180.9 kbytes)
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Contains datablock I

hkldisplay filedownload file

Structure factor file (CIF format) (211.7 kbytes)
[ ]
Contains datablock II


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