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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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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 |
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). |
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