Acta Crystallographica Section E (May 2008)

Di-μ-nicotinato-κ2N:O;κ2O:N-bis[aqua(ethylenediamine-κ2N,N′)(nicotinato-κN)cadmium(II)] dihydrate

  • Marian Koman,
  • Peter Segla,
  • Dušan Mikloš,
  • Jan Moncol

DOI
https://doi.org/10.1107/S1600536808009756
Journal volume & issue
Vol. 64, no. 5
pp. m665 – m666

Abstract

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The dinuclear molecule of the title compound, [Cd2(C6H4NO2)4(C2H8N2)2(H2O)2]·2H2O, lies on an inversion centre and forms 12-membered (CdNC3O)2 metallacycles with the two Cd2+ ions bridged by two nicotinate ligands. Both Cd2+ ions display coordination polyhedra with a distorted octahedral geometry that includes two pyridine N atoms from bridging and terminal nicotinate anions, two amine N atoms from chelating ethylenediamine ligands, carboxylate O atoms from bridging nicotinate anions and water O atoms. Intermolecular O—H...O and N—H...O hydrogen bonds result in the formation of a three-dimensional network, and π–π stacking interactions are observed between symmetry-related pyridine rings of bridging as well as terminal nicotinate anions (the centroid–centroid distances are 3.59 and 3.69 Å, respectively, and the distances between parallel planes of the stacked pyridine rings are 3.53 and 3.43 Å, respectively). The two methylene groups of the ethylenediamine ligand are disordered over two positions; the site occupancy factors are ca 0.8 and 0.2.