crystal structure of diaquabis(n,n-diethylnicotinamide-κn1)bis(2,4,6-trimethylbenzoato-κo1)cobalt(ii)

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ID: 221195
2016
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Abstract
The centrosymmetric molecule in the monomeric title cobalt complex, [Co(C10H11O2)2(C10H14N2O)2(H2O)2], contains two water molecules, two 2,4,6-trimethylbenzoate (TMB) ligands and two diethylnicotinamide (DENA) ligands. All ligands coordinate to the CoII atom in a monodentate fashion. The four O atoms around the CoII atom form a slightly distorted square-planar arrangement, with the distorted octahedral coordination sphere completed by two pyridine N atoms of the DENA ligands. The dihedral angle between the planar carboxylate group and the adjacent benzene ring is 84.2 (4)°, while the benzene and pyridine rings are oriented at a dihedral angle of 38.87 (10)°. The water molecules exhibit both intramolecular (to the non-coordinating carboxylate O atom) and intermolecular (to the amide carbonyl O atom) O—H...O hydrogen bonds. The latter lead to the formation of layers parallel to (100), enclosing R44(32) ring motifs. These layers are further linked via weak C—H...O hydrogen bonds, resulting in a three-dimensional network. One of the two ethyl groups of the DENA ligand is disordered over two sets of sites with an occupancy ratio of 0.490 (13):0.510 (13).
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Authors ;Gülçin Şefiye Aşkın;Hacali Necefoğlu;Safiye Özkaya;Raziye Çatak Çelik;Tuncer Hökelek
Journal Disability and rehabilitation
Year 2016
DOI
10.1107/S2056989016004059
URL
http://scripts.iucr.org/cgi-bin/paper?S2056989016004059
Keywords
crystal structure transition metal complexes nicotinamide benzoic acid transition metal complexchemistry

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