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Catena-Poly[[di-aqua-bis-(4-formyl-benzoato-?O (1))copper(II)]-?-pyrazine-?(2) N:N'].


ABSTRACT: In the title polymeric compound, [Cu(C8H5O3)2(C4H4N2)(H2O)2] n , the Cu(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 the bridging pyrazine ligand, which is 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 6.2?(2)°, while the benzene and pyrazine rings are oriented at a dihedral angle of 68.91?(8)°. The pyrazine ligands bridge the Cu(II) cations, forming polymeric 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, 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?? inter-actions present.

SUBMITTER: Celik F 

PROVIDER: S-EPMC3914040 | biostudies-literature | 2014 Jan

REPOSITORIES: biostudies-literature

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catena-Poly[[di-aqua-bis-(4-formyl-benzoato-κO (1))copper(II)]-μ-pyrazine-κ(2) N:N'].

Celik Fatih F   Dilek Nefise N   Caylak Delibaş Nagihan N   Necefoğlu Hacali H   Hökelek Tuncer T  

Acta crystallographica. Section E, Structure reports online 20131207 Pt 1


In the title polymeric compound, [Cu(C8H5O3)2(C4H4N2)(H2O)2] n , the Cu(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 the bridging pyrazine ligand, which is bis-ected by the twofold rotation axis. The axial positions are occupied by two O atoms of the coordinating water mol-ecules. In  ...[more]

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