Received 7 November 2011
In the title compound, [Co(C4H7N2O2)2Cl(C8H9NO2)], which was prepared as a model complex of vitamin B12, the CoIII atom, which is linked to four N atoms of the pseudo-macrocyclic (dmgH)2 ligand (dmgH is dimethylglyoximate) in the equatorial plane and one Cl- anion and one N atom of ethyl nicotinate in apical positions, displays an approximately octahedral coordination. The Co atom is 0.0187 (8) Å out of the mean plane of the four equatorial N atoms. The structure has an OHO bridge, which is very common in cobaloxime derivatives, with OH distances of 1.24 (2) and 1.25 (2) Å.
For background to the chemistry of cobaloximes, see: Schrayzer (1968); Zangrando et al. (2003). For applications of cobaloximes in proton reduction, see: Razavet et al. (2005). For related structures, see: Mandal & Gupta (2005, 2007); Bhuyan et al. (2007); Dutta et al. (2009). For NMR research on OHO bridges, see: Bakac & Espenson (1984). For deprotonation of OHO bridges by BF3·Et2O, see: Magnuson & Weber (1974).
Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT-Plus (Bruker, 2007); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL97.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: VN2023 ).
We are grateful to the Chinese National Natural Science Foundation (grant No. 21101057) and the Doctoral Fund of Henan University of Technology (No. 150389).
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