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Diaqua-bis(2-bromo-benzoato-?O)bis-(nicotinamide-?N)zinc(II).

ABSTRACT: The title Zn(II) complex, [Zn(C(7)H(4)BrO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Zn atom on an inversion center. The mol-ecule contains two 2-bromo-benzoate (BB) and two nicotinamide (NA) ligands and two coordinated water mol-ecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Zn atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 31.14?(12)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.54?(5)°. In the crystal structure, O-H?O and N-H?O hydrogen bonds link the mol-ecules into infinite chains. A weak C-H?? inter-action is also present.

SUBMITTER: Hokelek T

PROVIDER: S-EPMC2977639 | biostudies-literature | 2009

REPOSITORIES: biostudies-literature

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Diaqua-bis(2-bromo-benzoato-κO)bis-(nicotinamide-κN)zinc(II).

Hökelek Tuncer T Dal Hakan H Tercan Barış B Ozbek F Elif FE Necefoğlu Hacali H

Acta crystallographica. Section E, Structure reports online 20090430 Pt 5

The title Zn(II) complex, [Zn(C(7)H(4)BrO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Zn atom on an inversion center. The mol-ecule contains two 2-bromo-benzoate (BB) and two nicotinamide (NA) ligands and two coordinated water mol-ecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Zn atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ...[more]

PMID: 21583825

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Project description:The title Ni(II) complex, [Ni(C(8)H(8)NO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Ni atom on an inversion center. The mol-ecule contains two 4-methyl-amino-benzoate (MAB) and two nicotinamide (NA) ligands and two coordinated water mol-ecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 2.09 (14)°, while the pyridine and benzene rings are oriented at a dihedral angle of 66.15 (4)°. In the crystal structure, inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

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Project description:In the mononuclear Ni(II) title complex, [Ni(C(7)H(4)FO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Ni(II) atom, located on an inversion center, is coordinated by two nicotinamide and two 4-fluoro-benzoate ligands and two water mol-ecules in a distorted N(2)O(4) octa-hedral geometry. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 8.95 (8)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 75.01 (7)°. The water mol-ecule links the adjacent carboxyl-ate O atom via an intra-molecular O-H⋯O hydrogen bond. In the crystal, O-H⋯O, N-H⋯O, C-H⋯O and C-H⋯F hydrogen bonds link the mol-ecules into a three-dimensional network. π-π stacking between parallel pyridine rings [centroid-centroid distance = 3.7287 (11) Å] is also observed.

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Bis[4-(methyl-amino)benzoato-κO]bis-(nicotinamide-κN)zinc(II).

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