Aqua-bis(isonicotinamide-κN)bis-(4-methyl-benzoato)-κO;κO,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-methyl-benzoate (PMB) anions, two isonicotinamide (INA) ligands and one water mol-ecule in a distorted octa-hedral CdN(2)O(4) geometry. One of PMB ions acts...

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Veröffentlicht in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2010-03, Vol.66 (Pt 4), p.m392-m393
Hauptverfasser: Necefoğlu, Hacali, Cimen, Efdal, Tercan, Barış, Süzen, Yasemin, Hökelek, Tuncer
Format: Artikel
Sprache:eng
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Zusammenfassung: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-methyl-benzoate (PMB) anions, two isonicotinamide (INA) ligands and one water mol-ecule in a distorted octa-hedral 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 mol-ecule 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 mol-ecules into a supra-molecular 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 inter-actions involving the pyridine rings also occur in the crystal structure.
ISSN:1600-5368
DOI:10.1107/S1600536810008366