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Di-μ-benzoato-κO,O':O';κO:O,O'-bis[aqua-bis-(benzoato-κO,O')(dimethylformamide-κO)europium(III)].

ABSTRACT: The title dimeric complex, [Eu(2)(C(7)H(5)O(2))(6)(C(3)H(7)NO)(2)(H(2)O)(2)], is centrosymmetric, implying that pairs of equivalent Eu(3+) ions and ligands lie trans to each other and that the two Eu(3+) ions have exactly the same coordination environment. Each Eu(3+) ion is nine-coordinated by two bidentate benzoate ligands, two bridging tridentate chelating benzoate ligands, and one dimethylformamide and one water molecule. The coordination polyhedron of each Eu(3+) ion can be described with a distorted monocapped square-anti-prismatic geometry. The mol-ecular structure is stabilized by intra- and inter-molecular hydrogen bonds between the water mol-ecules and benzoate O atoms.

SUBMITTER: Wang Z

PROVIDER: S-EPMC3246994 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description:In the title dinuclear complex, [Ni(2)(C(8)H(7)O(2))(4)(C(12)H(8)N(2))(2)(H(2)O)], each Ni(II) atom 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 μ(2)-bridging aqua ligand. The dimeric complex is located on a crystallographic twofold axis and each Ni atom displays a distorted octa-hedral coordination geometry. The crystal structure is stabilized via intra-molecular hydrogen bonding of the bridging water mol-ecule and the uncoordinated carboxyl-ate O atoms, and by C-H⋯O and π-π stacking inter-actions [centroid-centroid distances between neighbouring phenanthroline ring systems and between the benzene ring of a 4-methyl-benzoate unit and a phenanthroline ring system are 3.662 (2) and 3.611 (3) Å, respectively].

| S-EPMC2961858 | 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

Bis(μ-4-hydroxy-benzoato-κO:O')bis-[triaqua-bis(4-hydroxy-benzoato)-κO;κO,O'-terbium(III)] deca-hydrate.

Project description:The title dinuclear compound, [Tb(2)(C(7)H(5)O(3))(6)(H(2)O)(6)]·10H(2)O, lies on a center of inversion and the two Tb(III) atoms are bridged by two 4-hydroxy-benzoate anions; each metal atom is further coordinated by one monodentate anion and chelated by the third anion. The eight-coordinate geometry approximates a square anti-prism. Hydrogen bonds of the O-H⋯O type connect the uncoordinated water mol-ecules to the dinuclear species, forming a three-dimensional network.

| S-EPMC2979992 | biostudies-literature

Crystal structure of catena-poly[[[di-aqua-bis-(2,4,6-tri-methyl-benzoato-κO)cobalt(II)]-μ-aqua-κ2O:O] dihydrate].

Project description:The asymmetric unit of the title one-dimensional polymeric compound, {[Co(C10H11O2)2(H2O)3]·2H2O} n , contains one CoII cation situated on a centre of inversion, one-half of a coordinating water mol-ecule, one 2,4,6-tri-methyl-benzoate (TMB) anion together with one coordinating and one non-coordinating water mol-ecule; the TMB anion acts as a monodentate ligand. In the anion, the carboxyl-ate group is twisted away from the attached benzene ring by 84.9 (2)°. The CoII atom is coordinated by two TMB anions and two water mol-ecules in the basal plane, while another water mol-ecule bridges the CoII atoms in the axial directions, forming polymeric chains running along [001]. The coordination environment for the CoII cation is a slightly distorted octa-hedron. The coordinating and bridging water mol-ecules link to the carboxyl-ate groups via intra- and inter-molecular O-H⋯O hydrogen bonds, enclosing S(6) ring motifs, while the coordinating, bridging and non-coordinating water mol-ecules link to the carboxyl-ate groups and the coordinating water mol-ecules link to the non-coordinating water mol-ecules via O-H⋯O hydrogen bonds, enclosing R22(8) and R33(8) ring motifs. Weak C-H⋯O and C-H⋯π inter-actions may further stabilize the crystal structure.

| S-EPMC5418789 | 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

catena-Poly[[(4-methyl-benzoato-κO)manganese(II)]-μ-aqua-bis-(μ-4-methyl-benzoato-κO:O')[(4-methyl-benzoato-κO)manganese(II)]-bis-(μ-N,N-diethyl-nicotinamide)-κN:O;O:N].

Project description:The asymmetric unit of the title complex, [Mn(2)(C(8)H(7)O(2))(4)(C(10)H(14)N(2)O)(2)(H(2)O)](n), contains two crystallographically independent units. In each one, the Mn(II) ions are bridged by two 4-methyl-benzoate (PMB) ligands and one water mol-ecule. In the crystal structure, each Mn(II) ion is coordinated by three PMB ligands, one water mol-ecule and two symmetry-related N,N-diethyl-nicotinamide (DENA) ligands. Symmetry-related Mn(II) ions are bridged by the N and O atoms of symmetry-related DENA ligands, forming polymeric chains parallel to [100]. The coord-ination environmnts for the Mn(II) ions are slightly distorted octa-hedral. Intra-molecular O-H⋯O hydrogen bonds link bridging water mol-ecules to the carboxyl-ate O atoms of a neigh-boring polymeric chain. In the crystal structure, π-π contacts between benzene rings [centroid-centroid distance = 3.562 (1) Å] and weak C-H⋯π inter-actions are also observed.

| S-EPMC3006929 | biostudies-literature

Di-aqua-bis-(3-chloro-benzoato-κO)bis-(nicotinamide-κN (1))cobalt(II).

Project description:In the title complex, [Co(C7H4ClO2)2(C6H6N2O)2(H2O)2], the Co(II) atom is located on an inversion center and is coordinated by two 3-chloro-benzoate (CB) anions, two nicotinamide (NA) ligands and two water mol-ecules. The four O atoms in the equatorial plane 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 9.14 (9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 82.18 (8)°. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional network lying parallel to (101). π-π stacking between parallel pyridine rings of adjacent mol-ecules [centroid-centroid distance = 3.7765 (8) Å] further stabilizes the crystal structure.

| S-EPMC3684906 | biostudies-literature

Bis(μ-2,4-dihy-droxy-benzoato-κO:O')bis-[aqua-(2,4-dihy-droxy-benzoato-κO)(1,10-phenanthroline-κN,N')cadmium(II)].

Project description:In the title centrosymmetric dimeric Cd(II) complex, [Cd(2)(C(7)H(5)O(4))(4)(C(12)H(8)N(2))(2)(H(2)O)(2)], the Cd(II) cation is coord-inated by a bidentate phenanthroline (phen) ligand, three dihy-droxy-benzoate (dhba) anions and one water mol-ecule in a distorted CdN(2)O(4) octa-hedral geometry. Among the dhba anions, two anions bridge two Cd(II) cations to form the dimeric complex with significant different Cd-O bond distances of 2.2215 (19) and 2.406 (2) Å. The centroid-centroid distance of 3.4615 (19) Å between two nearly parallel benzene rings of the dhba and phen ligands coordinating to the same Cd(II) cation indicates the existence of intra-molecular π-π stacking in the complex. Extensive O-H⋯O hydrogen bonding and inter-molecular weak C-H⋯O hydrogen bonding help to stabilize the crystal structure. One hy-droxy group of the monodentate dhba ligand is disordered over two sites with a site-occupancy ratio of 0.9:0.1.

| S-EPMC3006915 | biostudies-literature

Tetra-aqua-(nitrato-κO,O')bis-(pyridinium-4-carboxyl-ate-κO)europium(III) dinitrate.

Project description:The asymmetric unit of the title compound, [Eu(NO(3))(C(6)H(5)NO(2))(2)(H(2)O)(4)](NO(3))(2), consists of one-half of the C(2) symmetric coordination cation and one nitrate anion. The eight-coordinated Eu(III) atom is in a distorted dodeca-hedral coordination environment. The coordination cations and nitrate anions are connected via O-H⋯O and N-H⋯O hydrogen bonds into a three-dimensional network.

| S-EPMC3089347 | biostudies-literature

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

Project description: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 [centroid-centroid distance = 3.974 (1) Å] may further stabilize the structure. Weak C-H⋯π inter-actions are also observed.

| S-EPMC3007006 | biostudies-literature

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