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Aqua-bis-[4-(methyl-sulfan-yl)benzoato-?O]bis-(pyridine-?N)copper(II).

ABSTRACT: In the title mol-ecule, [Cu(C(8)H(7)O(2)S)(2)(C(5)H(5)N)(2)(H(2)O)], the Cu(II) ion is penta-coordinated in a distorted square-pyramidal geometry by two O atoms of two 4-(methyl-sulfan-yl)benzoate anions and two N atoms of two pyridine ligands and a water O atom situated at the apical site. In the crystal structure, O-H?O hydrogen bonds link mol-ecules into chains along the b axis.

SUBMITTER: Jiang GQ

PROVIDER: S-EPMC2983350 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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Aqua-bis-[4-(methyl-sulfan-yl)benzoato-κO]bis-(pyridine-κN)copper(II).

Jiang Guo-Qing GQ Chen Jian-Hua JH Wang Miao M Shi Yu-Jun YJ

Acta crystallographica. Section E, Structure reports online 20100908 Pt 10

In the title mol-ecule, [Cu(C(8)H(7)O(2)S)(2)(C(5)H(5)N)(2)(H(2)O)], the Cu(II) ion is penta-coordinated in a distorted square-pyramidal geometry by two O atoms of two 4-(methyl-sulfan-yl)benzoate anions and two N atoms of two pyridine ligands and a water O atom situated at the apical site. In the crystal structure, O-H⋯O hydrogen bonds link mol-ecules into chains along the b axis. ...[more]

PMID: 21587376

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Aqua-bis(4-methyl-benzoato)-κO;κO,O'-bis-(pyridine-κN)nickel(II).

Project description:In the title mononuclear complex, [Ni(C(8)H(7)O(2))(2)(C(5)H(5)N)(2)(H(2)O)], the Ni(II) atom is in a distorted octa-hedral arrangement, coordinated by three carboxylate O atoms from one bidentate 4-methyl-benzoate ligand and one monodentate 4-methyl-benzoate ligand, two N atoms from pyridine ligands, axially positioned, and a water mol-ecule. The equatorially positioned water mol-ecule and uncoordinated carb-oxylate O atom form an intra-molecular hydrogen bond. An inter-molecular O-H⋯O hydrogen bond between the coordinated water mol-ecule and carboxylate O atom of the 4-methyl-benzoate ligand forms infinite chains along the b axis. These chains are connected by C-H⋯π inter-actions.

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Aqua-bis-(methacrylato-κO)bis(pyridine-κN)copper(II).

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Aqua-bis(1H-imidazole-κN)bis-(4-methyl-benzoato)-κO;κO,O'-nickel(II).

Project description:In the mononuclear title compound, [Ni(C(8)H(7)O(2))(2)(C(3)H(4)N(2))(2)(H(2)O)], the Ni(II) atom is coordinated by three carboxylate O atoms (from a bidentate 4-methyl-benzoate ligand and a monodentate 4-methyl-benzoate ligand), two N atoms (from two imidazole ligands) and a water mol-ecule in an octa-hedral geometry. Inter-molecular O-H⋯O hydrogen-bonding inter-actions lead to infinite chains, which are further self-assembled into a supra-molecular network through inter-molecular N-H⋯O hydrogen-bonding inter-actions and π-π stacking [centroid-centroid distance = 3.717 (2) Å].

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Bis(4-hy-droxy-benzoato-κO,O')bis-(pyridine-κN)copper(II).

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μ-Aqua-bis-(μ-4-methyl-benzoato-κO:O')bis-[(4-methyl-benzoato-κO)(1,10-phenanthroline-κN,N')iron(II)].

Project description:In the title binuclear complex, [Fe(2)(C(8)H(7)O(2))(4)(C(12)H(8)N(2))(2)(H(2)O)], the Fe(II) ion is six-coordinated by three carboxylate O atoms from three 4-methyl-benzoate ligands, two N atoms from two 1,10-phenanthroline ligands and one bridging aqua ligand in a distorted octa-hedral geometry. The coordinated water mol-ecule acting as the bridging ligand is located on a twofold axes and the complex mol-ecule displays C(2) mol-ecular symmetry. The Fe⋯Fe separation in the binuclear complex is 3.490 (3) Å. The crystal structure is stabilized by hydrogen bonding and π-π stacking inter-actions [the centroid-centroid distance between adjacent 1,10-phenanthroline ring systems is 3.653 (2) Å, and that between the 1,10-phenanthroline ring system and the phenyl ring of the 4-methyl-benzoate unit of a neighbouring complex is 3.622 (3) Å].

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Aqua-bis(1H-imidazole-κN)bis-(4-methyl-benzoato-κO,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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Bis(2-{5-[(2-carb-oxy-phen-yl)sulfanylmeth-yl]-2,4-dimethyl-benzyl-sulfan-yl}benzoato-κO,O')bis-(pyridine-κN)iron(II).

Project description:The title compound, [Fe(C(24)H(21)O(4)S(2))(2)(C(5)H(5)N)(2)], has 2 symmetry. The Fe(II) cation is located on a twofold rotation axis and is O,O'-chelated by two 2-{5-[(2-carb-oxy-phen-yl)sulfanylmeth-yl]-2,4-dimethyl-benzyl-sulfan-yl}benzoate anions and further coordinated by two pyridine ligands in a distorted octa-hedral geometry. In the anion, the terminal benzene rings are oriented at dihedral angles of 63.81 (14) and 84.50 (14)° with respect to the central benzene ring. Inter-molecular O-H⋯O and C-H⋯O hydrogen bonding is present in the crystal structure.

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Aqua-chlorido(4-methyl-benzoato-κO)(1,10-phenanthroline-κN,N')copper(II).

Project description:In the title mononuclear complex, [Cu(C(8)H(7)O(2))Cl(C(12)H(8)N(2))(H(2)O)], the Cu(II) atom is coordinated by one carboxylate O atom from a monodentate 4-methyl-benzoate ligand, two N atoms from the 1,10-phenanthroline ligand, one chloride ion and one water mol-ecule in a square-pyramidal geometry. The crystal structure exhibits inter- and intra-molecular C-H⋯Cl, C-H⋯O, O-H⋯Cl and O-H⋯O hydrogen bonds, as well as C-H⋯π inter-actions of phenanthroline and methyl H atoms towards the π-systems of neighboring 4-methyl-benzoate units and the pyridine rings of the phenanthroline system [centroid-centroid distances are 2.706 (2) and 2.992 (1) Å, respectively].

| S-EPMC2961304 | biostudies-literature

Bis(1H-benzimidazole-κN)bis-(4-methyl-benzoato-κO,O')copper(II).

Project description:In the title mononuclear complex, [Cu(C(8)H(7)O(2))(2)(C(7)H(6)N(2))(2)], the Cu(II) atom lies on an inversion centre and is coordinated by two O atoms of two monodentate 4-methyl-benzoate ligands and two N atoms of two benzimidazole ligands in a square-planar geometry. The mol-ecules are linked into chains running parallel to the b axis by inter-molecular N-H⋯O hydrogen bonds and by π-π stacking inter-actions [centroid-centroid distance = 3.669 (2) Å] involving centrosymmetrically related imidazole rings.

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