Abstract
In the title complex, [Co(C8H5O3) 2(C6H6N2O)2(H 2O)2], the CoII cation is located on an inversion center and is coordinated by two 4-formyl-benzoate (FB) anions, two nicotinamide (NA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the CoII cation form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 23.91 (9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 88.84 (4)°. The coordinating water mol-ecule links with the carboxyl-ate group via an intra-molecular O-H⋯O hydrogen bond. In the crystal, N-H⋯O, O-H⋯O and weak C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular network. π-π stacking between the parallel benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.8505 (8) Å] may further stabilize the structure. A weak C-H⋯π inter-action also occurs in the crystal.
| Original language | English |
|---|---|
| Pages (from-to) | m1091-m1092 |
| Journal | Acta Crystallographica Section E: Structure Reports Online |
| Volume | 68 |
| Issue number | 8 |
| DOIs | |
| Publication status | Published - Aug 2012 |
Keywords
- R factor = 0.026
- T = 100 K
- data-to-parameter ratio = 16.3
- mean σ(C-C) = 0.002 Å
- single-crystal X-ray study
- wR factor = 0.069
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