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Crystal structure of trans-di-aqua-bis-(4-cyano-benzoato-?O)bis-(nicotinamide-?N (1))cobalt(II).


ABSTRACT: In the title complex, [Co(C8H4NO2)2(C6H6N2O)2(H2O)2], the Co(II) atom is located on an inversion centre and is coordinated by two 4-cyano-benzoate (CNB) anions, two nicotinamide (NA) ligands and two water mol-ecules. The four O atoms in the equatorial plane form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination sphere is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 22.11?(15)°, while the pyridine and benzene rings are oriented at a dihedral angle of 89.98?(5)°. In the crystal, inter-molecular N-H?O and O-H?O hydrogen bonds link the mol-ecules, enclosing R 2 (2)(8) and R 4 (4)(8) ring motifs, forming layers parallel to (100). The layers are linked via C-H?O and C-H?N hydrogen bonds, resulting in a three-dimensional network. A weak C-H?? inter-action is also observed.

SUBMITTER: Ask?n GS 

PROVIDER: S-EPMC4420108 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature

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Crystal structure of trans-di-aqua-bis-(4-cyano-benzoato-κO)bis-(nicotinamide-κN (1))cobalt(II).

Aşkın Gülçin Şefiye GŞ   Necefoğlu Hacali H   Yılmaz Nayir Gamze G   Çatak Çelik Raziye R   Hökelek Tuncer T  

Acta crystallographica. Section E, Crystallographic communications 20150430 Pt 5


In the title complex, [Co(C8H4NO2)2(C6H6N2O)2(H2O)2], the Co(II) atom is located on an inversion centre and is coordinated by two 4-cyano-benzoate (CNB) anions, two nicotinamide (NA) ligands and two water mol-ecules. The four O atoms in the equatorial plane form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination sphere is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and  ...[more]

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