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Crystal structure of the one-dimensional metal-organic polymer catena-poly[[tris(μ-2,4,6-tri-methyl-benzoato-κ(2) O:O')dizinc]-μ-2,4,6-tri-methyl-benzoato-κ(2) O:O'].

ABSTRACT: The title complex, [Zn2(C10H11O2)4] n , has a one-dimensional polymeric structure. The asymmetric unit consists of two zinc atoms bridged by three 2,4,6-tri-methyl-benzoate anions and one bidentate bridging 2,4,6-trimethylbenzoate anion. The [Zn2(C9H11CO2)3] cluster units are inter-molecularly linked to form a one-dimensional polymer, which propagates in the direction of the crystallographic b axis. The Zn atoms adopt a tetra-hedral geometry. The Zn-O bond lengths in the intra-molecular bridges are slightly shorter than those in the inter-molecular bridges.

SUBMITTER: Yamamura M

PROVIDER: S-EPMC4331921 | 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[bis-(μ-4-methyl-benzoato-κO:O')hepta-kis(μ-4-methyl-benzoato-κO,O':O)tris-amarium(III)].

Project description:The title samarium coordination polymer, [Sm(3)(C(8)H(7)O(2))(9)](n), was obtained by the hydro-thermal reaction of Sm(NO(3))(3) with 4-methyl-benzoic acid in alkaline aqueous solution. In the asymmetric unit, there are three crystallographically independent Sm(III) ions, two of which are eight-coordinate in a distorted square-anti-prismatic environment, while the third is nine-coordinate in a distorted tricapped trigonal-prismatic coordination. The metal centres are coordinated and bridged by four tridentate, three bidentate and two monodentate methyl-benzoate anions, forming polymeric chains running parallel to the b axis.

| S-EPMC2961567 | biostudies-literature

Crystal structure of tetra-kis-(μ-2,4,6-tri-methyl-benzoato-κ(2) O:O')bis-[(nicotinamide-κN (1))copper(II)].

Project description:In the title binuclear Cu(II) complex, [Cu2(C10H11O2)4(C6H6N2O)2], the two Cu(II) cations [Cu⋯Cu = 2.5990 (5) Å] are bridged by four 2,4,6-tri-methyl-benzoate (TMB) anions. The four nearest O atoms around each Cu(II) cation form distorted square-planar arrangements and the distorted square-pyramidal coordinations are completed by the pyridine N atoms of nicotinamide mol-ecules at distances of 2.164 (2) and 2.165 (2) Å, respectively. The Cu(II) cations are displaced by -0.2045 (3) and 0.2029 (3) Å from the corresponding planes formed by the nearest four O atoms. In the mol-ecule, the dihedral angles between the planes of the benzene rings and the adjacent carboxyl-ate groups are 80.6 (2), 51.4 (2), 24.4 (2) and 32.5 (2)°, while the planes of the pyridine rings are oriented at a dihedral angle of 11.28 (10)°. In the crystal, bifurcated N-H⋯O and weak C-H⋯O hydrogen bonds link the mol-ecules, enclosing R 2 (2)(8) and R 4 (4)(8) ring motifs, into a three-dimensional network. The structure contains a solvent-accessible void of 72 Å(3), but there is no solvent mol-ecule located within this void. The crystal studied was an inversion twin refined with a minor component of 0.488 (8).

| S-EPMC4571374 | 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[(diaqua-strontium)-bis-(μ-2-methyl-3,5-dinitro-benzoato)].

Project description:The title compound, [Sr(C(8)H(5)N(2)O(6))(2)(H(2)O)(2)](n), essentially consists of a one-dimensional polymeric network with Sr(2)O(2) rings extending along the [100] direction. The range of Sr-O bond lengths is 2.4822 (13)-2.8113 (13) Å. C-H⋯O and O-H⋯O hydrogen-bonding inter-actions stabilize the mol-ecules in the form of a two-dimensional polymeric network parallel to (001). One of the nitro groups is disordered over three sets of sites with the occupancy ratio of 0.46:0.32:0.22.

| S-EPMC3200748 | biostudies-literature

Crystal structures of di-aquadi-μ-hydroxido-tris-[tri-methyl-tin(IV)] diformatotri-methyl-stannate(IV) and di-μ-hydroxido-tris-[tri-methyl-tin(IV)] chloride monohydrate.

Project description:The title compounds, [Sn3(CH3)9(OH)2(H2O)2][Sn(CH3)3(CHO2)2] (1) and [Sn3(CH3)9(OH)2]Cl·H2O (2), are partially condensed products of hydrolysed tri-methyl-tin chloride. In the structures of 1 and 2, short cationic tris-tannatoxanes (C9H29O2Sn3) are bridged by a diformatotri-methyl-tin anion or a chloride anion, respectively. Hydrogen bridges are present and supposedly stabilize these structures against further polymerization to the known polymeric tri-methyl-tin hydroxide. Especially noteworthy is that the formate present in this structure was formed from atmospheric CO2.

| S-EPMC5050785 | 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

catena-Poly[[(1,10-phenanthroline-κ² N,N')lanthanum(III)]-μ-(5-bromo-2-hy-droxy-benzoato)-κ² O¹:O¹'-di-μ-chlorido].

Project description:In the title complex, [La(C₇H₄BrO₃)Cl₂(C₁₂H₈N₂)](n), the La(III) ion is eight-coordinated by two carboxyl-ate O atoms from two 5-bromo-salicylate ligands, two N atoms from a chelating 1,10-phenanthroline ligand and four bridging Cl atoms in a distorted square-anti-prismatic geometry. The La(III) ions are linked by bridging carboxyl-ate groups and chloride anions into a chain along [100]. An intra-molecular O-H⋯O hydrogen bond is formed in the 5-bromo-salicylate ligand. π-π inter-actions between the pyridine and benzene rings and between the benzene rings are observed [centroid-centroid distances = 3.794 (5) and 3.804 (4) Å].

| S-EPMC3393170 | biostudies-literature

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

Project description: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).

| S-EPMC2979983 | biostudies-literature

Crystal structure of catena-poly[[tri-methyl-tin(IV)]-μ-2-(2-nitro-phen-yl)acetato-κ(2) O:O'].

Project description:In the title one-dimensional coordination polymer, [Sn(CH3)3(C8H6NO4)] n , the Sn(IV) atom is coordinated by three methyl C atoms and two carboxyl-ate O atoms (one symmetry generated), resulting in an almost regular SnC3O2 trigonal pyramid. The C atoms occupy the equatorial sites and the O atoms occupy the axial sites. In the ligand, the dihedral angles between the benzene ring and the pendant acetate and nitro groups are 57.7 (1) and 36.9 (3)°, respectively. The bridging ligand leads to [010] chains in the crystal, with adjacent metal atoms related by a 21 screw axis. A weak π-π inter-action exists between the centroids of symmetry-related benzene rings at a distance of 3.9131 (19) Å.

| S-EPMC4350728 | biostudies-literature

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