Diaquabis[4-(dimethylamino)benzoato]-κ2O,O′;κO-(isonicotinamide-κN1)cobalt(II)

The title CoII complex, [Co(C9H10NO2)2(C6H6N2O)(H2O)2], contains two 4-dimethylaminobenzoate (DMAB) anions, one isonicotinamide (INA) ligand and two coordinated water molecules. One of the DMAB anions acts as a bidentate ligand, while the other is monodentate. The four O atoms in the equatorial plan...

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Bibliographic Details
Main Authors: Tuncer Hökelek, Hakan Dal, Barış Tercan, Özgür Aybirdi, Hacali Necefoğlu
Format: Article
Language:English
Published: International Union of Crystallography 2009-06-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536809016602
Description
Summary:The title CoII complex, [Co(C9H10NO2)2(C6H6N2O)(H2O)2], contains two 4-dimethylaminobenzoate (DMAB) anions, one isonicotinamide (INA) ligand and two coordinated water molecules. One of the DMAB anions acts as a bidentate ligand, while the other is monodentate. The four O atoms in the equatorial plane around the Co atom form a highly distorted square-planar arrangement, while the distorted octahedral coordination geometry is completed by the N atom of the INA ligand and the O atom of the second water molecule in the axial positions. An intramolecular O—H...O hydrogen bond between the monodentate-coordinated carboxyl group and a coordinated water molecule results in a six-membered ring with an envelope conformation. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 4.29 (10)° for the monodentate ligand and 2.31 (13)° for the bidentate ligand, while the two benzene rings are oriented at a dihedral angle of 65.02 (5)°. The dihedral angles between the pyridine and benzene rings are 11.21 (5)° for the monodentate ligand and 74.60 (5)° for the bidentate ligand. In the crystal structure, intermolecular O—H...O, O—H...N and N—H...O hydrogen bonds link the molecules into a supramolecular structure.
ISSN:1600-5368