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

Hacali Necefoğlu,Efdal Çimen,Barış Tercan,Emel Ermiş,Tuncer Hökelek

doi:10.1107/s1600536810013954

Abstract

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.

Highlights

In the centrosymmetric mononuclear title complex, [Co(C8H7O2)2(C10H14N2O)2(H2O)2], the CoII ion is located on an inversion center
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)

Summary

Structure Reports Online

Hacali Necefoglu,a Efdal Cimen,a Barıs Tercan,b Emel Ermisc and Tuncer Hokelekd*. Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.003 A; R factor = 0.038; wR factor = 0.090; data-to-parameter ratio = 19.2. The asymmetric unit contains one 4methylbenzoate (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). Intermolecular O—HÁ Á ÁO and C—HÁ Á ÁO hydrogen bonds link the molecules into a twodimensional network parallel to (001). The structure is further stabilized by – contacts between the pyridine rings [centroid–centroid distance = 3.544 (1) A ] and weak C— HÁ Á Á interactions involving the benzene ring

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