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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[[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[[[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

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

catena-Poly[[bis-(4-methyl-benzoato-κO:O')lead(II)]-μ-nicotinamide-κN:O].

Project description:In the title compound, [Pb(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)](n), the Pb(II) ion is coordinated by two 4-methyl-benzoate (PMB) and one nicotinamide (NA) ligands while symmetry-related NA ligands bridge adjacent Pb(II) ions, forming polymeric chains along the c axis. The carboxyl-ate groups in the two PMB ions are twisted away from the attached benzene ring by 22.9 (2) and 4.6 (2)°. The two benzene rings of the PMB ions are oriented at a dihedral angle of 83.7 (1)°. In a polymeric chain, the NA ligands are linked to PMB ions through intra-molecular N-H⋯O hydrogen bonds. In the crystal structure, adjacent polymeric chains inter-act via N-H⋯O and C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane.

| S-EPMC3007553 | biostudies-literature

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

Project description: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.

| S-EPMC3246994 | biostudies-literature

catena-Poly[[[aqua-(propane-1,3-diamine-κN,N')copper(II)]-μ-fumarato-κO:O'] monohydrate].

Project description:The asymmetric unit of the title compound, {[Cu(C(4)H(2)O(4))(C(3)H(10)N(2))(H(2)O)]·H(2)O}(n), consists of two Cu(II) atoms, half each of two propane-1,3-diamine ligands and two coordinated water mol-ecules, all lying on crystallographic mirror planes, also one fumarate dianion and one uncoordinated water mol-ecule in a general position. The Cu(C(3)H(10)N(2))(H(2)O) units are linked via fumarate dianions into a zigzag chain running along the a axis. A longer Cu-O distance [2.873 (3) Å] is to a water mol-ecule bridging equivalent Cu(II) atoms in adjacent chains, forming a three-dimensional framework. One of the Cu(II) atoms is in a distorted square-pyramidal environment and the other is in a pseudo-octa-hedral geometry of the [5+1] type. O-H⋯O and N-H⋯O hydrogen bonds are observed in the crystal structure.

| S-EPMC2960309 | biostudies-literature

catena-Poly[μ-aqua-2:1'κO:O-aqua-2κO-(2-fluoro-benzoato-1κO,O')(μ(2)-2-fluoro-benzoato-2':1κO:O')bis-(μ(3)-2-fluoro-benzoato)-2':1:2κO:O,O':O';1:2:1'κF,O:O,O':O'-dilead(II)].

Project description:In the title compound, [Pb(2)(C(7)H(4)FO(2))(4)(H(2)O)(2)](n), one Pb(II) atom is coordinated by seven O atoms and one F atom from five 2-fluoro-benzoate ligands, and the other Pb(II) atom is coordinated by five O atoms from four 2-fluoro-benzoate ligands and three water mol-ecules, resulting in distorted PbO(7)F and PbO(8) polyhedra. The 2-fluoro-benzoate ligands bridge Pb atoms, giving rise to a one-dimensional chain structure extending along the [100] direction. The polymeric chains are connected via C-H⋯O hydrogen bonds and π-π inter-actions, with an inter-planar distance of 3.46 (1) Å. An intramolecular O-H⋯F interaction is also present.

| S-EPMC2961970 | biostudies-literature

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