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Aqua-bis(4-formyl-benzoato-?O,O)bis-(isonicotinamide-?N)cadmium(II) monohydrate.

ABSTRACT: The asymmetric unit of the title Cd(II) complex, [Cd(C(8)H(5)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·H(2)O, contains two 4-formyl-benzoate (FB), two isonicotinamide (INA) ligands, one coordinated and one uncoordinated water mol-ecule; the FB ions act as bidentate ligands. The coordination number of the Cd(II) atom is seven within a CdO(5)N(2) donor set. Intra-molecular O-H?O hydrogen bonds link the uncoordinated water mol-ecules to the carboxyl groups. The dihedral angle between the carboxyl-ate groups and the adjacent benzene rings are 17.53?(13) and 16.55?(14)°. In the crystal structure, inter-molecular O-H?O, N-H?O, N-H?N and C-H?O hydrogen bonds link the mol-ecules into a supra-molecular structure. The amide group of one of the INA ligands is disordered over two orientations, with an occupancy ratio of 0.759?(3):0.241?(3).

SUBMITTER: Hokelek T

PROVIDER: S-EPMC2971022 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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Aqua-bis(4-formyl-benzoato-κO,O)bis-(isonicotinamide-κN)cadmium(II) monohydrate.

Hökelek Tuncer T Yılmaz Filiz F Tercan Barış B Gürgen Ferdi F Necefoğlu Hacali H

Acta crystallographica. Section E, Structure reports online 20091023 Pt 11

The asymmetric unit of the title Cd(II) complex, [Cd(C(8)H(5)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·H(2)O, contains two 4-formyl-benzoate (FB), two isonicotinamide (INA) ligands, one coordinated and one uncoordinated water mol-ecule; the FB ions act as bidentate ligands. The coordination number of the Cd(II) atom is seven within a CdO(5)N(2) donor set. Intra-molecular O-H⋯O hydrogen bonds link the uncoordinated water mol-ecules to the carboxyl groups. The dihedral angle between the carboxyl-ate grou ...[more]

PMID: 21578154

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