Diaquabis[4-(dimethylamino)benzoato](isonicotinamide)zinc(II)

• Published in: Acta crystallographica. Section E, Structure reports online Structure reports online, 2009-06, Vol.65 (6), p.m651-m652
• Main Authors: Hökelek, Tuncer, Dal, Hakan, Tercan, Barış, Aybirdi, Özgür, Necefoğlu, Hacali
• Format: Article
• Language: English
• ISSN: 1600-5368; 1600-5368
• DOI: 10.1107/S1600536809017620

The molecule of the title Zn II complex, [Zn(C 9 H 10 NO 2 ) 2 (C 6 H 6 N 2 O)(H 2 O) 2 ], contains two 4-(dimethylamino)benzoate (DMAB) ligands, one isonicotinamide (INA) ligand and two water molecules; one of the DMAB ions acts as a bidentate ligand while the other and INA are monodentate ligands. The four O atoms in the equatorial plane around the Zn atom form a distorted square-planar arrangement, while the distorted octahedral coordination is completed by the N atom of the INA ligand and the O atom of the water molecule in the axial positions. Intramolecular C—H...O hydrogen bonding results in the formation of a six-membered ring adopting an envelope conformation. The dihedral angle between the carboxyl groups and the adjacent benzene rings are 4.87 (16) and 2.2 (2)°, while the two benzene rings are oriented at a dihedral angle of 65.13 (8)°. The dihedral angle between the benzene and pyridine rings are 11.47 (7) and 74.83 (8)°, respectively. In the crystal structure, intermolecular O—H...O, O—H...N and N—H...O hydrogen bonds link the molecules into a supramolecular structure. π–π contacts between the pyridine and benzene rings and between the benzene rings [centroid–centroid distances = 3.695 (1) and 3.841 (1) Å, respectively] further stabilize the structure. Weak intermolecular C—H...π interactions are also present.