Diaquabis(4-formylbenzoato-κO1)bis(nicotinamide-κN1)cobalt(II)

Mustafa Sertçelik,Hacali Necefoğlu,Nagihan Çaylak Delibaş,Tuncer Hökelek

doi:10.1107/s1600536812032205

Abstract

In the title complex, [Co(C8H5O3)2(C6H6N2O)2(H2O)2], the CoII cation is located on an inversion center and is coordinated by two 4-formylbenzoate (FB) anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane around the CoII cation form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 23.91 (9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 88.84 (4)°. The coordinating water molecule links with the carboxylate group via an intramolecular O—H⋯O hydrogen bond. In the crystal, N—H⋯O, O—H⋯O and weak C—H⋯O hydrogen bonds link the molecules into a three-dimensional supramolecular network. π–π stacking between the parallel benzene rings of adjacent molecules [centroid–centroid distance = 3.8505 (8) Å] may further stabilize the structure. A weak C—H⋯π interaction also occurs in the crystal.

Highlights

In the title complex, [Co(C8H5O3)2(C6H6N2O)2(H2O)2], the CoII cation is located on an inversion center and is coordinated by two 4-formylbenzoate (FB) anions, two nicotinamide (NA) ligands and two water molecules
The four O atoms in the equatorial plane around the CoII cation form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions
The dihedral angle between the carboxylate group and the adjacent benzene ring is 23.91 (9), while the pyridine and benzene rings are oriented at a dihedral angle of 88.84 (4)

Summary

Structure Reports Online

Mustafa Sertcelik,a Nagihan Caylak Delibas,b Hacali Necefoglua and Tuncer Hokelekc*. Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.002 A; R factor = 0.026; wR factor = 0.069; data-to-parameter ratio = 16.3. In the title complex, [Co(C8H5O3)2(C6H6N2O)2(H2O)2], the CoII cation is located on an inversion center and is coordinated by two 4-formylbenzoate (FB) anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane around the CoII cation form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 23.91 (9), while the pyridine and benzene rings are oriented at a dihedral angle of 88.84 (4). The coordinating water molecule links with the carboxylate group via an intramolecular O—HÁ Á ÁO hydrogen bond. N—HÁ Á ÁO, O—HÁ Á ÁO and weak C—HÁ Á ÁO hydrogen bonds link the molecules into a three-dimensional supramolecular network. A weak C—HÁ Á Á interaction occurs in the crystal

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