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

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 liga...

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Detalles Bibliográficos
Autores principales: Hökelek, Tuncer, Dal, Hakan, Tercan, Barış, Aybirdi, Özgür, Necefoğlu, Hacali
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969605/
https://www.ncbi.nlm.nih.gov/pubmed/21583016
http://dx.doi.org/10.1107/S1600536809017620
Descripción
Sumario: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.