Diaquabis[4-(dimethylamino)benzoato-κO]bis(nicotinamide-κN 1)zinc(II) dihydrate

In the centrosymmetric title structure, [Zn(C9H10NO2)2(C6H6N2O)2(H2O)2]·2H2O, the ZnII cation, located on an inversion center, is coordinated by two 4-(methylamino)benzoate anions, two nicotinamide ligands and two water molecules in a slightly distorted octahedral geometry. The dihedral angle between the carboxylate group and the attached benzene ring is 3.09 (9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 77.10 (4)°. The uncoordinated water molecule is linked to nicotinamide ligands by O—H⋯O hydrogen bonds. In the crystal, intermolecular N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. A weak N—H⋯π interaction also occurs.

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

[2]  Tuncer Hökelek,et al.  Tetrakis(μ-4-methylbenzoato-κ2 O:O′)bis[(isonicotinamide-κN)copper(II)] , 2010, Acta crystallographica. Section E, Structure reports online.

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

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

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

[6]  Louis J. Farrugia,et al.  ORTEP-3 for Windows - a version of ORTEP-III with a Graphical User Interface (GUI) , 1997 .

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

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

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

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

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

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

[13]  良二 上田 J. Appl. Cryst.の発刊に際して , 1970 .

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