4-(4-Pyrid-yl)pyridinium bis-(pyridine-2,6-dicarboxyl-ato)ferrate(III) tetra-hydrate.

Janet Soleimannejad,Shabnam Sheshmani,Hossein Aghabozorg

doi:10.1107/s1600536810008597

Abstract

In the title compound, (C10H9N2)[Fe(C7H3NO4)2]·4H2O or (bpyH)[Fe(pydc)2]·4H2O, the asymmetric unit contains an [Fe(pydc)2]− (pydcH2= pyridine-2,6-dicarboxylic acid) anion, a protonated 4,4′-bipyridine as a counter-ion, (bpyH)+, and four uncoordinated water molecules. The anion is a six-coordinate complex with a distorted octahedral geometry around the FeIII atom. A wide range of non-covalent interactions, i.e. O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds, ion pairing, C—O⋯π [3.431 (2) Å] and C—H⋯π stacking interactions result in the formation of a three-dimensional network structure.

Highlights

For related structures, see: Aghabozorg, Manteghi & Sheshmani (2008); Aghabozorg, Ramezanipour et al (2008); Aghajani et al (2009); For details on the importance of coordinative covalent bonds and weak intermolecular forces in forming extended organized networks, see: Steiner (2002)
Cg1 and Cg2 are the centroids of the N3/C15–C19 and N1/C2–C6 rings, respectively
The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry

Summary

Refinement a b

R factor = 0.036; wR factor = 0.099; data-to-parameter ratio = 16.0. Cg1 and Cg2 are the centroids of the N3/C15–C19 and N1/C2–C6 rings, respectively. In the title compound, (C10H9N2)[Fe(C7H3NO4)2]4H2O or (bpyH)[Fe(pydc)2]4H2O, the asymmetric unit contains an [Fe(pydc)2] (pydcH2= pyridine-2,6-dicarboxylic acid) anion, a protonated 4,40 -bipyridine as a counter-ion, (bpyH)+, and four uncoordinated water molecules. The anion is a sixcoordinate complex with a distorted octahedral geometry around the FeIII atom. A wide range of non-covalent interactions, i.e. O—H O, O—H N and N—H O hydrogen bonds, ion pairing, C—O [3.431 (2) Å] and. C—H stacking interactions result in the formation of a three-dimensional network structure

Related literature

Special details