Crystal structure of catena-poly[[di-aqua-bis-(4-formyl-benzoato-κO (1))cobalt(II)]-μ-pyrazine-κ(2) N:N'

Gülçin Şefiye Aşkın,Hacali Necefoğlu,Fatih Çelik,Tuncer Hökelek,Nefise Dilek

doi:10.1107/s205698901500403x

Abstract

In the title polymeric compound, [Co(C8H5O3)2(C4H4N2)(H2O)2] n , the Co(II) atom is located on a twofold rotation axis and has a slightly distorted octa-hedral coordination sphere. In the equatorial plane, it is coordinated by two carboxyl-ate O atoms of two symmetry-related monodentate formyl-benzoate anions and by two N atoms of two bridging pyrazine ligands. The latter are bis-ected by the twofold rotation axis. The axial positions are occupied by two O atoms of the coordinating water mol-ecules. In the formyl-benzoate anion, the carboxyl-ate group is twisted away from the attached benzene ring by 7.50 (8)°, while the benzene and pyrazine rings are oriented at a dihedral angle of 64.90 (4)°. The pyrazine ligands bridge the Co(II) cations, forming linear chains running along the b-axis direction. Strong intra-molecular O-H⋯O hydrogen bonds link the water mol-ecules to the carboxyl-ate O atoms. In the crystal, weak O-Hwater⋯Owater hydrogen bonds link adjacent chains into layers parallel to the bc plane. The layers are linked via C-Hpyrazine⋯Oform-yl hydrogen bonds, forming a three-dimensional network. There are also weak C-H⋯π inter-actions present.

Highlights

In the title polymeric compound, [Co(C8H5O3)2(C4H4N2)(H2O)2]n, the CoII atom is located on a twofold rotation axis and has a slightly distorted octahedral coordination sphere
In the formylbenzoate anion, the carboxylate group is twisted away from the attached benzene ring by 7.50 (8), while the benzene and pyrazine rings are oriented at a dihedral angle of
The structural functions and coordination relationships of the arylcarboxylate ion in transition metal complexes of benzoic acid derivatives change depending on the nature and position of the substituent groups on the benzene ring, the nature of the additional ligand molecule or solvent, and the medium of the synthesis (Adiwidjaja et al, 1978; Antsyshkina et al, 1980; Nadzhafov et al, 1981; Shnulin et al, 1981)

Summary

Chemical context

The structural functions and coordination relationships of the arylcarboxylate ion in transition metal complexes of benzoic acid derivatives change depending on the nature and position of the substituent groups on the benzene ring, the nature of the additional ligand molecule or solvent, and the medium of the synthesis (Adiwidjaja et al, 1978; Antsyshkina et al, 1980; Nadzhafov et al, 1981; Shnulin et al, 1981). 4-aminobenzoic acid, have been extensively reported in coordination chemistry, as bifunctional organic ligands, due to the varieties of their coordination modes (Chen & Chen, 2002; Amiraslanov et al, 1979; Hauptmann et al, 2000). In this context, we report the synthesis and crystal structure of the title compound, [Co(C8H5O3)2(C4H4N2)(H2O)2]n, which is isotypic with its CuII (Çelik et al, 2014a) and NiII (Çelik et al, 2014b) analogues

Structural commentary

Supramolecular features

Refinement

Synthesis and crystallization