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Crystal structure of di­aqua­bis­(4-tert-butyl­benzoato-κO)bis­(nicotinamide-κN (1))cobalt(II) dihydrate

The asymmetric unit of the mononuclear cobalt complex, [Co(C(11)H(13)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, contains one half of the complex mol­ecule, one coordinating and one non-coordinating water mol­ecule, one 4-tert-butyl­benzoate (TBB) ligand and one nicotinamide (NA) ligand; the Co at...

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Detalles Bibliográficos
Autores principales: Aşkın, Gülçin Şefiye, Necefoğlu, Hacali, Özkaya, Safiye, Çatak Çelik, Raziye, Hökelek, Tuncer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4992899/
https://www.ncbi.nlm.nih.gov/pubmed/27555924
http://dx.doi.org/10.1107/S2056989016008689
Descripción
Sumario:The asymmetric unit of the mononuclear cobalt complex, [Co(C(11)H(13)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, contains one half of the complex mol­ecule, one coordinating and one non-coordinating water mol­ecule, one 4-tert-butyl­benzoate (TBB) ligand and one nicotinamide (NA) ligand; the Co atom lies on an inversion centre. All ligands coordinating to the Co atom are monodentate. The four nearest O atoms around the Co atom form a slightly distorted square-planar arrangement, with the distorted octa­hedral coordination completed by the two pyridine N atoms of the NA ligands at distances of 2.1638 (11) Å. The coordinating water mol­ecules are hydrogen bonded to the carboxyl O atoms [O ⋯ O = 2.6230 (17) Å], enclosing an S(6) hydrogen-bonding motif, while inter­molecular O—H⋯O hydrogen bonds link two of the non-coordinating water mol­ecules to the coordinating water mol­ecules and NA anions. The dihedral angle between the planar carboxyl­ate group and the adjacent benzene ring is 29.09 (10)°, while the benzene and pyridine rings are oriented at a dihedral angle of 88.53 (4)°. In the crystal, O—H⋯O and N—H⋯O hydrogen bonds link the mol­ecules, enclosing R (2) (2)(8), R (2) (2)(10) and R (4) (4)(12) ring motifs, forming layers parallel to (001). The C and H atoms of the tert-butyl group of the TBB ligand are disordered over two sets of sites with an occupancy ratio of 0.631 (5):0.369 (5).