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Trans-Bis(2-acet-amido-5-methyl-benzoato-κO)tetra-aqua-zinc.

ABSTRACT: In the title compound, [Zn(C(10)H(10)NO(3))(2)(H(2)O)(4)], the Zn(II) atom lies on a crystallographic inversion center and is six-coordinated by two monodentate trans-related 2-(N-acetyl-amino)-5-methyl-benzoato ligands and four water mol-ecules, giving a slightly distorted octa-hedral geometry. There are two intra-molecular hydrogen bonds [amine N-H⋯O(carbox-yl) and water O-H⋯O(carbox-yl)], while extensive inter-molecular water O-H⋯O hydrogen-bonding inter-actions extend the complex units into a two-dimensional network structure along (100).

SUBMITTER: Huang JF

PROVIDER: S-EPMC3089096 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Tetra-aqua-bis(2-methyl-benzimidazolium-1,3-diacetato-κO)zinc(II) tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Zn(C(12)H(11)N(2)O(4))(2)(H(2)O)(4)]·4H(2)O, contains one-half of the complex mol-ecule and two uncoordin-ated water mol-ecules. The four water O atoms in the equatorial plane around the Zn(II) centre ( symmetry) form a distorted square-planar arrangement, while the distorted octa-hedral coordination geometry is completed by the O atoms of the zwitterionic 2-methyl-benzimidazolium-1,3-diacetate ligands in the axial positions. The benzimidazole ring system is planar, with a maximum deviation of 0.041 (3) Å. Intra-molecular O-H⋯O hydrogen bonding results in the formation of a non-planar six-membered ring. In the crystal structure, strong intra- and inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π contacts between benzimidazole rings [centroid-centroid distance = 3.899 (1) Å] may further stabilize the structure.

| S-EPMC2969862 | biostudies-literature

Tetra-aqua-bis-(3,5-dinitro-benzoato-κO (1))magnesium tetra-hydrate.

Project description:In the structure of the title compound, [Mg(C7H3N2O6)2(H2O)4]·4H2O, the slightly distorted octa-hedral MgO6 coord-in-ation polyhedron comprises two trans-related carboxyl-ate O-atom donors from mononodentate 3,5-dinitro-benzoate ligands, and four water mol-ecules. The coordinating water mol-ecules and the four water mol-ecules of solvation give both intra- and inter-unit O-H⋯O hydrogen-bonding inter-actions with carboxyl-ate, water and nitro O-atom acceptors, forming a three-dimensional structure.

| S-EPMC3629491 | biostudies-literature

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.

| S-EPMC2961051 | biostudies-literature

Tetra-kis(μ(2)-2-methyl-3,5-dinitro-benzoato-κO:O)bis-[aqua-copper(II)] tetra-hydrate.

Project description:The title compound, [Cu(2)(C(8)H(5)N(2)O(6))(4)(H(2)O)(2)]·4H(2)O, forms a centrosymmetric paddle-wheel-type dimer with an intra-molecular Cu⋯Cu distance of 2.6540 (4) Å. The Cu(II) atom is in a square-pyramidal coordination environment formed by four O atoms of four carboxyl-ate groups and one water mol-ecule, which is located in the apical position. The carboxyl-ate groups are twisted relative to the benzene rings by 11.09 (16) and 45.55 (19)°. The nitro groups are not coplanar with the parent aromatic rings [dihedral angles = 16.2 (3)-51.45 (14)°]. O-H⋯O hydrogen bonds between the coordinated water mol-ecules and one of the nitro groups, as well as π-π stacking inter-actions [centroid-centroid distance = 3.5764 (12) Å] between the benzene rings, assemble the complex mol-ecules into a one-dimensional polymeric structure which is further extended into a three-dimensional polymeric network via O-H⋯O hydrogen bonds involving the water molecules of crystallization.

| S-EPMC3051452 | biostudies-literature

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].

| S-EPMC2961397 | biostudies-literature

Diaqua-bis(4-methyl-benzoato-κO)zinc(II).

Project description:The Zn atom in the title mononuclear complex, [Zn(C(8)H(7)O(2))(2)(H(2)O)(2)], lies on a special position of site symmetry 2. The carboxyl-ate group binds in a monodentate manner so that the geometry is best described as tetra-hedral. Adjacent mol-ecules are linked by O-H⋯O hydrogen bonds into a three-dimensional network.

| S-EPMC2914921 | biostudies-literature

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].

| S-EPMC2961080 | biostudies-literature

Octa-methyl-bis-(μ(2)-2-methyl-benzoato-κO:O')bis-(2-methyl-benzoato-κO)di-μ(3)-oxido-tetra-tin(IV).

Project description:The title compound, [Sn(4)(CH(3))(8)(C(8)H(7)O(2))(4)O(2)], is a distann-oxane derivative of 2-methyl-benzoic acid. The crystal structure is composed of centrosymmetric dimers lying about inversion centres. Both independent Sn atoms adopt distorted trigonal-bipyramidal SnC(2)O(3) coordination geometries with the basal planes consisting of two C-atoms from the methyl groups and a bridging O atom. The Sn-C and Sn-O bond lengths lie in the ranges 2.090 (2)-2.104 (3) and 2.0241 (14)-2.2561 (15) Å, respectively. The central four-membered planar Sn(2)O(2) ring [Sn⋯Sn distance = 3.2993 (2) Å] makes dihedral angles of 5.43 (11) and 59.50 (7)° with the methyl-phenyl groups, which are themselves oriented at a dihedral angle of 61.38 (8)°. Besides weak C-H⋯O and C-H⋯π inter-actions, the packing mainly features van der Waals forces between the mol-ecules.

| S-EPMC2983126 | biostudies-literature

Tetra-kis-(μ-benzoato-κO:O')bis{[4-(di-methyl-amino)-pyridine-κN]zinc(II)}.

Project description:In the centrosymmetric binuclear title complex, [Zn(2)(C(7)H(5)O(2))(4)(C(7)H(10)N(2))(2)], the Zn atoms [Zn⋯Zn = 3.0037 (6) Å] are bridged by four benzoate ligands. Each of the Zn atoms assumes an approximately square-pyramidal environment, with four O atoms in a plane and the pyridine N atom at the apical site.

| S-EPMC3051476 | biostudies-literature

Tetra-μ-2-methyl-benzoato-κO:O'-bis-[(ethanol-κO)copper(II)].

Project description:In the title dinuclear complex, [Cu(2)(C(8)H(7)O(2))(4)(C(2)H(5)OH)(2)], four 2-methyl-benzoato anions form a cage around two Cu(II) ions in a syn-anti configuration. Two ethanol mol-ecules coordinate the Cu atoms in apical positions, giving an overall square-pyramidal coordination geometry. The Cu⋯Cu separation is 2.600 (1) Å. In the crystal, mol-ecules are assembled into chains extending in [001] through O-H⋯O hydrogen bonds.

| S-EPMC3246983 | biostudies-literature

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