Diaquabis(N,N-diethylnicotinamide-κN 1)bis(4-methylbenzoato-κO)cobalt(II)

In the centrosymmetric mononuclear title complex, [Co(C8H7O2)2(C10H14N2O)2(H2O)2], the CoII ion is located on an inversion center. The asymmetric unit contains one 4-methylbenzoate (PMB) anion, one N,N-diethylnicotinamide (DENA) ligand and one coordinated water molecule. The four O atoms in the equatorial plane around the CoII ion form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two pyridine N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxylate 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, intermolecular O—H⋯O and C—H⋯O hydrogen bonds link the molecules 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 interactions involving the benzene ring.

[1]  G. G. Stokes "J." , 1890, The New Yale Book of Quotations.

[2]  Tuncer Hökelek,et al.  Diaquabis(2-chlorobenzoato-κO)bis(nicotinamide-κN 1)nickel(II) , 2009, Acta crystallographica. Section E, Structure reports online.

[3]  T. Hökelek,et al.  trans-Diaquabis(nicotinamide-N1)bis(4-nitrobenzoato-O)cobalt(II) , 1998 .

[4]  Louis J. Farrugia,et al.  WinGX suite for small-molecule single-crystal crystallography , 1999 .

[5]  T. Hökelek,et al.  Diaquabis(4-methylbenzoato-κO)bis(nicotinamide-κN 1)nickel(II) , 2010, Acta crystallographica. Section E, Structure reports online.

[6]  T. Hökelek,et al.  trans‐Bis(benzoato‐O,O')bis(N,N‐diethylnicotinamide‐N1)copper(II) , 1996 .

[7]  Anthony L. Spek,et al.  Structure validation in chemical crystallography , 2009, Acta crystallographica. Section D, Biological crystallography.

[8]  A. Braibanti,et al.  The crystal and molecular structure of mono-(N,N-diethylnicotinamide)cadmium dithiocyanate , 1972 .

[9]  Tuncer Hökelek,et al.  Diaquabis(2-bromobenzoato-κO)bis(nicotinamide-κN 1)zinc(II) , 2009, Acta crystallographica. Section E, Structure reports online.

[10]  T. Hökelek,et al.  Diaquabis(2-chlorobenzoato-κO)bis(N,N-diethylnicotinamide-κN 1)manganese(II) , 2009, Acta crystallographica. Section E, Structure reports online.

[11]  Robin Taylor,et al.  Mercury: visualization and analysis of crystal structures , 2006 .

[12]  G. Sheldrick A short history of SHELX. , 2008, Acta crystallographica. Section A, Foundations of crystallography.