Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 4 (April 2013)

metal-organic compounds

ku3092 scheme

Acta Cryst. (2013). C69, 344-347    [ doi:10.1107/S0108270113005313 ]

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)
[ doi:10.1107/S0108270113005313/ku3092Isup2.hkl ]
Contains datablock I

hkldisplay filedownload file

Structure factor file (CIF format) (211.7 kbytes)
[ doi:10.1107/S0108270113005313/ku3092IIsup3.hkl ]
Contains datablock II


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