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Aqua­bis(isonicotinamide-κN (1))bis­(4-methyl­benzoato)-κO;κ(2) O,O′-cadmium(II) monohydrate

In the crystal structure of the title compound, [Cd(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·H(2)O, the Cd(II) cation is coordinated by two 4-methyl­benzoate (PMB) anions, two isonicotinamide (INA) ligands and one water mol­ecule in a distorted octa­hedral CdN(2)O(4) geometry. One of PMB ions acts...

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Detalles Bibliográficos
Autores principales: Necefoğlu, Hacali, Çimen, Efdal, Tercan, Barış, Süzen, Yasemin, Hökelek, Tuncer
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2984084/
https://www.ncbi.nlm.nih.gov/pubmed/21580498
http://dx.doi.org/10.1107/S1600536810008366
Descripción
Sumario:In the crystal structure of the title compound, [Cd(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·H(2)O, the Cd(II) cation is coordinated by two 4-methyl­benzoate (PMB) anions, two isonicotinamide (INA) ligands and one water mol­ecule in a distorted octa­hedral CdN(2)O(4) geometry. One of PMB ions acts as a bidentate ligand while the other and the two INA are monodentate ligands. An O—H⋯O hydrogen bond links the uncoordinated water mol­ecule to the carboxyl groups of the complex. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 10.28 (11) and 21.24 (9)°, while the two benzene rings and the two pyridine rings are oriented at dihedral angles of 6.90 (4) and 88.64 (4)°, respectively. In the crystal structure, O—H⋯O and N—H⋯O hydrogen bonds link the mol­ecules into a supra­molecular structure. A π–π contact between the benzene rings [centroid–centroid distance = 3.911 (1) Å] may further stabilize the crystal structure. Weak C—H⋯π inter­actions involving the pyridine rings also occur in the crystal structure.