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Diaqua-bis(N,N-diethyl-nicotinamide-κN)bis-(4-methyl-benzoato-κO)cobalt(II).

Acta Crystallographica Section E Structure Reports Online (Impact Factor: 0.35). 01/2010; 66(Pt 5):m556-7. DOI: 10.1107/S1600536810013954
Source: PubMed

ABSTRACT In the centrosymmetric mononuclear title complex, [Co(C(8)H(7)O(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Co(II) ion is located on an inversion center. The asymmetric unit contains one 4-methyl-benzoate (PMB) anion, one N,N-diethyl-nicotinamide (DENA) ligand and one coordinated water mol-ecule. The four O atoms in the equatorial plane around the Co(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two pyridine N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 3.73 (14)°, while the pyridine and benzene rings are oriented at a dihedral angle of 77.28 (6)°. In the crystal structure, inter-molecular O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional network parallel to (001). The structure is further stabilized by π-π contacts between the pyridine rings [centroid-centroid distance = 3.544 (1) Å] and weak C-H⋯π inter-actions involving the benzene ring.

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    ABSTRACT: In the mononuclear title compound, [Co(C(7)H(4)BrO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Co(II) ion is located on a crystallographic inversion center. The asymmetric unit is completed by one 2-bromo-benzoate anion, one diethyl-nicotinamide (DENA) ligand and one coordinated water mol-ecule; all ligands are monodentate. The four O atoms in the equatorial plane around Co(II) form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two pyridine N atoms of the DENA ligands in axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 84.7 (1)°; the pyridine and benzene rings are oriented at a dihedral angle of 43.64 (6)°. In the crystal structure, inter-molecular O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.
    Acta Crystallographica Section E Structure Reports Online 01/2010; 66(Pt 9):m1132-3. · 0.35 Impact Factor

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