Diaquabis(N,N-diethylnicotinamide-κN1)bis(4-methylbenzoato-κO)cobalt(II)

In the centrosymmetric mononuclear title complex, [Co(C8H7O2)2(C10H14N2O)2(H2O)2], the CoII ion is located on an inversion center. The asymmetric unit contains one 4-methylbenzoate (PMB) anion, one N,N-diethylnicotinamide (DENA) ligand and one coordinated water molecule. The four O atoms in the equa...

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Bibliographic Details
Main Authors: Hacali Necefoğlu, Efdal Çimen, Barış Tercan, Emel Ermiş, Tuncer Hökelek
Format: Article
Language:English
Published: International Union of Crystallography 2010-05-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810013954
Description
Summary:In the centrosymmetric mononuclear title complex, [Co(C8H7O2)2(C10H14N2O)2(H2O)2], the CoII ion is located on an inversion center. The asymmetric unit contains one 4-methylbenzoate (PMB) anion, one N,N-diethylnicotinamide (DENA) ligand and one coordinated water molecule. The four O atoms in the equatorial plane around the CoII ion form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two pyridine N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxylate group and the attached benzene ring is 3.73 (14)°, while the pyridine and benzene rings are oriented at a dihedral angle of 77.28 (6)°. In the crystal structure, intermolecular O—H...O and C—H...O hydrogen bonds link the molecules into a two-dimensional network parallel to (001). The structure is further stabilized by π–π contacts between the pyridine rings [centroid–centroid distance = 3.544 (1) Å] and weak C—H...π interactions involving the benzene ring.
ISSN:1600-5368