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Bis[?-4-(dimethyl-amino)-benzoato]-?O,O':O;?O:O,O'-bis-{aqua-[4-(dimethyl-amino)-benzoato-?O,O'](nicotinamide-?N)cadmium(II)}.

ABSTRACT: In the centrosymmetric dimeric Cd(II) title compound, [Cd(2)(C(9)H(10)NO(2))(4)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], each seven-coordin-ated Cd(II) atom is chelated by the carboxyl-ate groups of the two 4-(dimethyl-amino)-benzoate (DMAB) anions; the two monomeric units are bridged through the two O atoms of the two carboxyl groups. In the crystal structure, inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. ?-? contacts between the pyridine rings [centroid-centroid distance = 3.974?(1)?Å] may further stabilize the structure. Weak C-H?? inter-actions are also observed.

SUBMITTER: Hokelek T

PROVIDER: S-EPMC3007006 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature

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Bis[μ-4-(dimethyl-amino)-benzoato]-κO,O':O;κO:O,O'-bis-{aqua-[4-(dimethyl-amino)-benzoato-κO,O'](nicotinamide-κN)cadmium(II)}.

Hökelek Tuncer T Süzen Yasemin Y Tercan Barış B Aybirdi Ozgür O Necefoğlu Hacali H

Acta crystallographica. Section E, Structure reports online 20100616 Pt 7

In the centrosymmetric dimeric Cd(II) title compound, [Cd(2)(C(9)H(10)NO(2))(4)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], each seven-coordin-ated Cd(II) atom is chelated by the carboxyl-ate groups of the two 4-(dimethyl-amino)-benzoate (DMAB) anions; the two monomeric units are bridged through the two O atoms of the two carboxyl groups. In the crystal structure, inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π contacts between the pyridine rings ...[more]

PMID: 21587709

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Bis[?-4-(methyl-amino)-benzoato]-?O,O':O;?O:O,O'-bis-{aqua-[4-(methyl-amino)-benzoato-?O,O'](nicotinamide-?N)cadmium(II)}.

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Bis[4-(methyl-amino)benzoato-?O]bis-(nicotinamide-?N)zinc(II).

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

Project description: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).

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Aqua-bis(1H-imidazole-?N)bis-(4-methyl-benzoato-?O,O')cadmium(II).

Project description:In the title compound, [Cd(C(8)H(7)O(2))(2)(C(3)H(4)N(2))(2)(H(2)O)], the Cd(II) atom is coordinated by four carboxyl-ate O atoms from two bidentate chelating 4-methyl-benzoate ligands, two N atoms from two imidazole ligands and one water mol-ecule in a distorted penta-gonal bipyramidal geometry. Inter-molecular O-H?O hydrogen bonds between the coordinated water mol-ecule and the carboxyl-ate O atoms of 4-methyl-benzoate lead to an infinite chain. These chains are further self-assembled into a two-dimensional layer through N-H?O hydrogen bonds between the imidazole ligands and carboxyl-ate groups. One of the imidazole ligands is disordered over two positions with site-occupancy factors of 0.737?(4) and 0.263?(4).

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Diaqua-bis(4-methyl-amino-benzoato-?O)bis-(nicotinamide-?N)nickel(II).

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.

| S-EPMC2977638 | biostudies-literature

Diaqua-bis(4-methyl-amino-benzoato-?O)bis-(nicotinamide-?N)cobalt(II).

Project description:The asymmetric unit of the title Co(II) complex, [Co(C(8)H(8)NO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], contains two half complex mol-ecules with similar structures. The Co(II) atoms are each located on an inversion center and each is coordinated by two 4-methyl-amino-benzoate (PMAB), two nicotinamide (NA) ligands and two water mol-ecules in a distorted octa-hedral coordination. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 3.0?(3) and 2.54?(19)°, while the pyridine and benzene rings are oriented at dihedral angles of 67.40?(8) and 66.25?(8)°. In the crystal structure, inter-molecular O-H?O and N-H?O hydrogen bonds link the mol-ecules into a supra-molecular structure.

| S-EPMC2984056 | biostudies-literature

Tetra-kis[μ-4-(dimethyl-amino)benzoato-κO:O']bis-[(N,N-diethyl-nicotinamide-κN)zinc(II)].

Project description:The title mol-ecule, [Zn(2)(C(9)H(10)NO(2))(4)(C(10)H(14)N(2)O)(2)], is a centrosymmetric binuclear complex, with Zn atoms [Zn⋯Zn' = 2.8927 (4) Å] bridged by four carboxyl-ate groups from the dimethyl-amino-benzoate (DMAB) ligands. The four carboxyl O atoms around the Zn atom form a distorted square-planar arrangement; the distorted square-pyramidal coordination geometry is completed by the pyridine N atom of the N,N-diethyl-nicotinamide (DENA) ligand. The Zn atom is displaced by 0.3326 (2) Å from the plane of the four O atoms, with an average Zn-O distance of 2.0416 (12) Å. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 5.31 (8) and 11.00 (9)°, while the pyridine ring is oriented at dihedral angles of 66.26 (6) and 37.88 (7)° with respect to the benzene rings. Weak intra-molecular C-H⋯O and inter-molecular C-H⋯π inter-actions are present.

| S-EPMC2971944 | biostudies-literature

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