Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 6 (June 2013)


metal-organic compounds



ov3026 scheme

Acta Cryst. (2013). C69, 601-605    [ doi:10.1107/S0108270113010913 ]

The coordination chemistry of two symmetric double-armed oxadiazole-bridged organic ligands with copper salts

X.-W. Wu, M.-M. Xin, J.-P. Ma, Z.-H. Wu and Y.-B. Dong

Abstract: Two new symmetric double-armed oxadiazole-bridged ligands, 4-methyl-{5-[5-methyl-2-(pyridin-3-ylcarbonyloxy)phenyl]-1,3,4-oxadiazol-2-yl}phenyl pyridine-3-carboxylate (L1) and 4-methyl-{5-[5-methyl-2-(pyridin-4-ylcarbonyloxy)phenyl]-1,3,4-oxadiazol-2-yl}phenyl pyridine-4-carboxylate (L2), were prepared by the reaction of 2,5-bis(2-hydroxy-5-methylphenyl)-1,3,4-oxadiazole with nicotinoyl chloride and isonicotinoyl chloride, respectively. Ligand L1 can be used as an organic clip to bind CuII cations and generate a molecular complex, bis(4-methyl-{5-[5-methyl-2-(pyridin-3-ylcarbonyloxy)phenyl]-1,3,4-oxadiazol-2-yl}phenyl pyridine-3-carboxylate)bis(perchlorato)copper(II), [Cu(ClO4)2(C28H20N4O5)2], (I). In compound (I), the CuII cation is located on an inversion centre and is hexacoordinated in a distorted octahedral geometry, with the pyridine N atoms of two L1 ligands in the equatorial positions and two weakly coordinating perchlorate counter-ions in the axial positions. The two arms of the L1 ligands bend inward and converge at the CuII coordination point to give rise to a spirometallocycle. Ligand L2 binds CuI cations to generate a supramolecule, diacetonitriledi-[mu]3-iodido-di-[mu]2-iodido-bis(4-methyl-{5-[5-methyl-2-(pyridin-4-ylcarbonyloxy)phenyl]-1,3,4-oxadiazol-2-yl}phenyl pyridine-4-carboxylate)tetracopper(I), [Cu4I4(CH3CN)2(C28H20N4O5)2], (II). The asymmetric unit of (II) indicates that it contains two CuI atoms, one L2 ligand, one acetonitrile ligand and two iodide ligands. Both of the CuI atoms are four-coordinated in an approximately tetrahedral environment. The molecule is centrosymmetric and the four I atoms and four CuI atoms form a rope-ladder-type [Cu4I4] unit. Discrete units are linked into one-dimensional chains through [pi]-[pi] interactions.

Formula: [Cu(ClO4)2(C28H20N4O5)2] and [Cu4I4(C2H3N)2(C28H20N4O5)2]


hkldisplay filedownload file

Structure factor file (CIF format) (249.9 kbytes)
[ doi:10.1107/S0108270113010913/ov3026Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (279.7 kbytes)
[ doi:10.1107/S0108270113010913/ov3026IIsup3.hkl ]
Contains datablock II


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