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Catena-Poly[[aqua-(4-ethyl-benzoic acid-κO)lanthanum(III)]-tri-μ-4-ethyl-benzoato].

ABSTRACT: The reaction of lanthanum nitrate and 4-ethyl-benzoic acid (EBAH) in aqueous solution yielded the title polymer, [La(C(9)H(9)O(2))(3)(C(9)H(10)O(2))(H(2)O)](n). The asymmetric unit contains one La(III) atom, three 4-ethyl-benzoate (EBA) ligands, one neutral EBAH ligand and one coordinated water mol-ecule. Each La(III) ion is eight-coordinated by six O atoms from six bridging-bidentate EBA ligands, one O atom from a monodentate EBAH ligand and one water O atom in a distorted bicapped trigonal-prismatic geometry. The adjacent La(III) ions are linked by the carboxyl-ate groups of EBA ligands in a bridging-bidetate coordination mode, resulting in an infinite chain structure along the c axis. O-H⋯O hydrogen-bonding inter-actions involving the water mol-ecules, carboxyl-ate groups and carboxyl H atoms are formed within the one-dimensional polymer. One of the ethyl groups is disordered over two positions with occupancies of 0.717 (7) and 0.283 (7).

SUBMITTER: Yang J

PROVIDER: S-EPMC2979983 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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

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

Poly[aqua-(μ(5)-2-oxido-4-sulfonato-benzoato)lanthanum(III)].

Project description:The title compound, [La(C(7)H(3)O(6)S)(H(2)O)](n), forms a three-dimensional framework in which the asymmetric unit contains one La(III) atom, one 5-sulfosalicylate (2-oxido-4-sulfonatobenzoate) ligand and one coordinated water mol-ecule. The La(III) atom is coordinated by nine O atoms from three carboxyl-ate, three sulfonate and two hydroxyl groups, and one water mol-ecule, forming a distorted trigonal-prismatic square-face tricapped geometry.

| S-EPMC2968885 | biostudies-literature

catena-Poly[[cobalt(II)-μ-aqua-μ-propano-ato-κO:O'-μ-propano-ato-κO:O] monohydrate].

Project description:The title compound, {[Co(C(2)H(5)COO)(2)(H(2)O)]·H(2)O}(n), was synthesized by the reaction of cobalt(II) carbonate hydrate with aqueous propionic acid. The structure consists of polymeric infinite linear chains with composition [Co(C(2)H(5)COO)(4/2)(H(2)O)(2/2)](∞) running along [010]. The chains are formed by Co(2+) ions linked with bridging propionate groups and water mol-ecules, with a Co⋯Co distance along the chains of 3.2587 (9) Å. The Co(2+) ion is six-coordinated in a strongly distorted octa-hedral geometry. The chains are connected to each other by a network of O-H⋯O hydrogen bonds involving solvent water mol-ecules.

| S-EPMC3009297 | biostudies-literature

catena-Poly[[hexa-kis(μ-4-methyl-benzoato)-κO,O';κO,O':O-trieuropium(III)]-tris-(μ-4-methyl-benzoato)-κO,O';κO,O':O].

Project description:The title europium(III) carboxyl-ate, [Eu(3)(C(8)H(7)O(2))(9)](n), has three independent Eu atoms, two of which are eight-coordinate in a square-anti-prismatic coordination geometry, whereas the third is nine-coordinate in a tricapped trigonal-prismatic coordination geometry. The metal atoms are linked by two bidentate and seven tridentate methyl-benzoate groups into a linear chain running along the b-axis direction.

| S-EPMC2962240 | biostudies-literature

catena-Poly[[aqua-(benzoato-?O,O')(benzoic acid-?O)calcium]-?(3)-benzoato-?O:O,O':O'].

Project description:In title compound, [Ca(C(7)H(5)O(2))(2)(C(7)H(6)O(2))(H(2)O)](n), the eightfold-coordinated Ca(II) ion is bonded to four carboxyl-ate O atoms from two benzoate ions, an O atom from benzoic acid and a water O atom. One of the carboxyl-ate groups bridges adjacent Ca(2+) ions, forming a polymeric ribbon structure parallel to [010]. In the crystal, the benzoate anions and water mol-ecule inter-act by way of inter- and intra-molecular O-H?O hydrogen bonds.

| S-EPMC3089294 | biostudies-literature

catena-Poly[[diaqua-cobalt(II)]-bis-(μ-4-fluoro-benzoato-κO:O')].

Project description:The hydro-thermal reaction of CoCO(3) and 4-fluoro-benzoic acid afforded the title Co(II) complex, [Co(C(7)H(4)FO(2))(2)(H(2)O)(2)](n). The Co(II) atom is located on an inversion center and is coordinated by six O atoms from two water mol-ecules and four μ(2)-carboxyl-ate groups of 4-fluoro-benzoate anions, forming a distorted CoO(6) octa-hedron, with Co-O bond lengths in the range 2.071 (2)-2.130 (2) Å. All adjacent O-Co-O angles are in the range 84.78 (6)-95.22 (6)° and opposite angles are 180.0°. Each μ-carboxyl-ate group of the 4-fluoro-benzoate anions bridges two symmetry-related Co(II) atoms. Hydrogen-bonding inter-actions of the coordinated water mol-ecules further connect the cobalt-carboxyl-ate units, forming layers perpendicular to the a axis. The cobalt-oxygen layers are encased in a sandwich-like fashion by layers of π-stacked 4-fluoro-benzoate anions. Within these layers the benzene rings of the 4-fluoro-benzoate anions are π-stacked, with centroid-centroid distances of 3.432 (4) Å.

| S-EPMC2977626 | biostudies-literature

catena-Poly[[[tetra-aqua-samarium(III)]-di-μ-isonicotinato-κO:O'] chloride].

Project description:In the structure of the title compound, {[Sm(C(6)H(4)NO(2))(2)(H(2)O)(4)]Cl}(n), the unique Sm(III) atom lies on a crystallographic twofold axis and is eight-coordinated by four O atoms from four isonicotinate ligands and four water mol-ecules in a slightly distorted square-anti-prismatic coodination environment. The Sm(III) atoms are bridged by two carboxyl-ate groups of two isonicotinate ligands, forming an extended chain along the c-axis direction. These chains are cross-linked through hydrogen bonds, forming a three-dimensional framework, with channels which accommodate the chloride anions.

| S-EPMC2914939 | biostudies-literature

Crystal structure of catena-poly[[di-aqua-bis-(4-formyl-benzoato-κO (1))cobalt(II)]-μ-pyrazine-κ(2) N:N'].

Project description:In the title polymeric compound, [Co(C8H5O3)2(C4H4N2)(H2O)2] n , the Co(II) atom is located on a twofold rotation axis and has a slightly distorted octa-hedral coordination sphere. In the equatorial plane, it is coordinated by two carboxyl-ate O atoms of two symmetry-related monodentate formyl-benzoate anions and by two N atoms of two bridging pyrazine ligands. The latter are bis-ected by the twofold rotation axis. The axial positions are occupied by two O atoms of the coordinating water mol-ecules. In the formyl-benzoate anion, the carboxyl-ate group is twisted away from the attached benzene ring by 7.50 (8)°, while the benzene and pyrazine rings are oriented at a dihedral angle of 64.90 (4)°. The pyrazine ligands bridge the Co(II) cations, forming linear chains running along the b-axis direction. Strong intra-molecular O-H⋯O hydrogen bonds link the water mol-ecules to the carboxyl-ate O atoms. In the crystal, weak O-Hwater⋯Owater hydrogen bonds link adjacent chains into layers parallel to the bc plane. The layers are linked via C-Hpyrazine⋯Oform-yl hydrogen bonds, forming a three-dimensional network. There are also weak C-H⋯π inter-actions present.

| S-EPMC4438811 | biostudies-literature

catena-Poly[[aqua-copper(II)]-μ(2)-imino-diacetato-κO,N,O':O'].

Project description:In the title compound, [Cu(C(4)H(5)O(4))(H(2)O)](n), the imino-diacetate (ida) ligands link the Cu(II) atoms into polymeric zigzag chains running along [010]. Each Cu(II) ion is five-coordinated in a distorted square-pyramidal geometry by one N and two O atoms from an ida ligand, one O atom from the neighbouring ida ligand and one water O atom. In the crystal, the polymeric chains are held together via inter-molecular O-H⋯O and N-H⋯O hydrogen bonds.

| S-EPMC3246954 | biostudies-literature

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