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Poly[(?3-5-tert-butyl-benzene-1,3-di-carboxyl-ato)di-pyridine-cobalt(II)].

ABSTRACT: In the title compound, [Co(C12H12O4)(C5H5N)2] n , the Co(II) cation is coordinated by four O atoms from three 5-tert-butyl-benzene-1,3-di-carboxyl-ate anions and two N atoms from pyridine mol-ecules in a distorted octa-hedral geometry. One carboxyl-ate group of the anionic ligand chelates a Co(II) cation while another carboxyl-ate group bridges two Co(II) cations, resulting in a polymeric layer parallel to (101). Weak C-H?O hydrogen bonds occur between adjacent polymeric layers. In the crystal, one of pyridine mol-ecules is equally disordered over two positions.

SUBMITTER: Noh K

PROVIDER: S-EPMC3919544 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature

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Poly[(μ3-5-tert-butyl-benzene-1,3-di-carboxyl-ato)di-pyridine-cobalt(II)].

Noh Kyungkyou K Kim Jaheon J

Acta crystallographica. Section E, Structure reports online 20131002 Pt 11

In the title compound, [Co(C12H12O4)(C5H5N)2] n , the Co(II) cation is coordinated by four O atoms from three 5-tert-butyl-benzene-1,3-di-carboxyl-ate anions and two N atoms from pyridine mol-ecules in a distorted octa-hedral geometry. One carboxyl-ate group of the anionic ligand chelates a Co(II) cation while another carboxyl-ate group bridges two Co(II) cations, resulting in a polymeric layer parallel to (101). Weak C-H⋯O hydrogen bonds occur between adjacent polymeric layers. In the crystal, ...[more]

PMID: 24526931

Similar Datasets

Poly[[nona-aqua-bis-(?-5-hy-droxy-benzene-1,3-di-carboxyl-ato)(5-hy-droxy-benzene-1,3-di-carboxyl-ato)dicerium(III)] hexa-hydrate].

Project description:In the title coordination polymer, {[Ce2(C8H4O5)3(H2O)9]·6H2O} n , the asymmetric unit is formed by two Ce(III) atoms, three 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands, nine coordinating water mol-ecules and six water mol-ecules of crystallization. The two Ce(III) atoms are bridged by 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands acting in a bis-bidentate coordination mode, generating infinite chains along [101]. Both independent metal atoms are nine-coordinated, one by four O atoms from the carboxyl-ate groups of two bridging 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands and five O atoms from water mol-ecules, generating a tricapped trigonal-prismatic geometry. The coordination around the second Ce(III) atom is similar, except that one of the water mol-ecules is replaced by an O atom from an additional 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligand acting in a monodentate coordination mode and forming a capped square-anti-prismatic geometry.

| S-EPMC4011209 | biostudies-literature

catena-Poly[[bis-(pyridine-κN)zinc]-μ-5-carb-oxy-benzene-1,3-di-carboxyl-ato-κ(2) O (1):O (3)].

Project description:The title one-dimensional coordination polymer, [Zn(C9H4O6)(C5H5N)2] n or [Zn(HBTC)(py)2] n , (I), where BTC is benzene-1,3,5-tricarboxylate and py is pyridine, is a solvent-free polymorph of [Zn(HBTC)(py)2]·2C2H5OH [Yaghi et al. (1997 ▶). Chem. Mater. 9, 1074-1076]. Differences in the spatial arrangements and supra-molecular packing of the [Zn(HBTC)(py)2] n chains in the two structures are described. The chain in (I) extends parallel to [100] and is severely puckered, with a Zn⋯Zn distance of 8.3599 (3) Å and a Zn⋯Zn⋯Zn angle of 107.516 (3)°, as a result of hydrogen-bonding inter-actions of the types O-H⋯O and C-H⋯O. There is no evidence for π-π inter-actions in (I). The differences between the solvent-free and solvent-containing structures can be accounted for by the absence of the ethanol solvent mol-ecule and the use of the converging pair of O atoms in the bis-monodentate bridging HBTC(2-) ligand in (I).

| S-EPMC3684903 | biostudies-literature

catena-Poly[[[diaqua-(1,3-benzimidazole-κN)manganese(II)]-μ-benzene-1,3-di-carboxyl-ato-κO,O:O] dihydrate].

Project description:In the polymeric title complex, {[Mn(C(8)H(4)O(4))(C(7)H(6)N(2))(H(2)O)(2)]·2H(2)O}(n), the Mn(II) cation is coordinated by two benzene-dicarboxyl-ate anions, one benzimidazole ligand and two water mol-ecules in a distorted MnNO(5) octa-hedral geometry. In the crystal, each benzene-dicarboxyl-ate anion bridges adjacent Mn(II) cations through the terminal carboxyl-ate groups, forming a polymeric complex chain along the a axis. One Mn-O(carboxyl-ate) bond is much longer than the others. In the crystal, π-π stacking is observed between nearly parallel [dihedral angle = 4.32 (6)°] benzimidazole aromatic ring systems of adjacent mol-ecules, the centroid-centroid distance between the imidazole and benzene rings being 3.5421 (11) Å. Extensive inter-molecular O-H⋯O and N-H⋯O hydrogen bonding is present in the crystal structure. The two lattice water mol-ecules are located on twofold rotation axes.

| S-EPMC3099958 | biostudies-literature

Crystal structure of a heterometallic coordination polymer: <i>catena</i>-poly[[[tetra-aqua-cobalt(II)]-μ-pyridine-2,6-di-carboxyl-ato-calcium(II)-μ-pyridine-2,6-di-carboxyl-ato] dihydrate].

Project description:In the crystal of the title polymeric complex, {[CoCa(C7H3NO4)2(H2O)4]·2H2O} n (1), the CoII ion is N,O,O'-chelated by two pyridine-2,6-di-carboxyl-ate anions in a distorted N2O4 octa-hedral geometry, and two carboxyl-ate O atoms of pyridine-2,6-di-carboxyl-ate anions bridge tetra-aqua-calcium(II) units to form polymeric chains propagating along the b-axis direction. In the crystal, O-H⋯O and C-H⋯O hydrogen bonds, and offset π-π stacking inter-actions [inter-centroid distances = 3.551 (1) and 3.746 (1) Å] involving inversion-related pyridine rings link the polymeric chains and lattice water mol-ecules to form a supra-molecular three-dimensional framework.

| S-EPMC6002818 | biostudies-literature

Poly[[(?2-benzene-1,3-di-carboxyl-ato){?2-1,4-bis-[(1H-imidazol-1-yl)meth-yl]benzene}-cadmium] di-methyl-formamide monosolvate].

Project description:The title coordination polymer, {[Cd(C8H4O4)(C14H14N4)]·C3H7NO} n , was synthesized by solvothermal reaction of metallic cadmium with the semi-rigid neutral ligand 1,4-bis-[(1H-imidazol-1-yl)meth-yl]benzene (bix) and the V-shaped benzene-1,3-di-carb-oxy-lic acid (m-H2bdc). The structure exhibits a pseudo-C-centring which is almost fulfilled by the polymeric metal complex but not by the solvent dimethylform-amide (DMF) mol-ecules. The asymmetric unit contains two independent Cd(II) ions, two m-bdc(2-) ligands, one and two half bix ligands, and two solvent DMF mol-ecules. The Cd(II) ions are both five-coordinated by three O atoms from two different m-bdc(2-) ligands and two N atoms from two different bix ligands in a distorted square-pyramidal geometry. The m-bdc(2-) ligands adopt a chelate-monodentate coordination mode, connecting neighboring Cd(II) ions into a zigzag chain parallel to [110]. Adjacent chains are further cross-linked by bix ligands, giving rise to a puckered sheet nearly perpendicular to the chain direction. Thus, each Cd(II) ion is connected to four neighboring Cd(II) ions through two m-bdc(2-) anions and two bix ligands, giving rise to the final non-inter-penetrating uninodal layer with sql (4,4) topology.

| S-EPMC3884267 | biostudies-literature

Di-tert-butyl-chlorido(pyrrolidine-1-dithio-carboxyl-ato-κS,S')tin(IV).

Project description:The title compound, [Sn(C(4)H(9))(2)(C(5)H(8)NS(2))Cl], contains two mol-ecules in the asymmetric unit, with similar conformations. In both mol-ecules, the Sn atom adopts a distorted trigonal-bipyramidal geometry arising from two C atoms, one Cl atom and two S atoms from the bidentate dithio-carbamate ligand, with one Sn-S bond much longer than the other. One C atom of the pyrrolidine ring is disordered equally over two sites.

| S-EPMC2914963 | biostudies-literature

Crystal structure of poly[di-aqua-bis-(?5-benzene-1,3-di-carboxyl-ato)(N,N-di-methyl-formamide)-cadmium(II)disodium(I)].

Project description:The title compound, [CdNa2(C8H4O4)2(C3H7NO)(H2O)2] n or [CdNa2(1,3-bdc)2(DMF)(H2O)2] n , is a new CdII-NaI heterobimetallic coordination polymer. The asymmetric unit consists of one CdII atom, two NaI atoms, two 1,3-bdc ligands, two coordinated water mol-ecules and one coordinated DMF mol-ecule. The CdII atom exhibits a seven-coordinate geometry, while the NaI atoms can be considered to be penta-coordinate. The metal ions and their symmetry-related equivalents are connected via chelating-bridging carboxyl-ate groups of the 1,3-bdc ligands to generate a three-dimensional framework. In the crystal, there are classical O-H?O hydrogen bonds involving the coordinated water mol-ecules and the 1,3-bdc carboxyl-ate groups and ?-? stacking between the benzene rings of the 1,3-bdc ligands present within the frameworks.

| S-EPMC5683472 | biostudies-literature

Poly[di-?(2)-aqua-?(5)-(pyridine-2,6-dicarboxyl-ato)-?(3)-(pyridine-2,6-dicarboxyl-ato)-cobalt(II)disodium].

Project description:In the title compound, [CoNa(2)(C(7)H(3)NO(4))(2)(H(2)O)(2)](n), the Co(II) atom is coordinated by two pyridine N atoms and four carboxyl-ate O atoms from two doubly deprotonated pyridine-2,6-dicarboxyl-ate ligands in a distorted octa-hedral geometry. One Na(+) cation is coordinated by three carboxyl-ate O atoms and two water mol-ecules and the other is coordinated by five carboxyl-ate O atoms and two water mol-ecules in an irregular geometry. The bis-(pyridine-2,6-dicarboxyl-ato)cobalt complex units are connected by Na(+) cations and bridging water mol-ecules into a three-dimensional coordination network. O-H?O hydrogen bonds are formed between the water mol-ecules and the carboxyl-ate O atoms.

| S-EPMC3238695 | biostudies-literature

catena-Poly[[tri-aqua-copper(II)]-?-5-carb-oxy-benzene-1,3-di-carboxyl-ato-?(2) O (1):O (3)].

Project description:In the title complex, [Cu(C9H4O6)(H2O)3] n , the Cu(II) cation exhibits a distorted square-pyramidal coordination geometry involving five O atoms from two monodentate 5-carb-oxy-benzene-1,3-di-carboxyl-ate anions and three water mol-ecules. The 5-carb-oxy-benzene-1,3-di-carboxyl-ate anions bridge Cu(II) cations into zigzag polymeric chains running along the b-axis direction. These chains are further linked by O-H?O hydrogen bonds between coordinating water mol-ecules or carboxyl groups and carboxylate groups into a three-dimensional supra-molecular architecture. In the crystal, ?-? stacking is observed between parallel benzene rings of adjacent chains, the centroid-centroid distances being 3.584?(3) and 3.684?(3)?Å.

| S-EPMC3790349 | biostudies-literature

Poly[di-ammonium [di-aqua-(μ7-benzene-1,2,3,4,5,6-hexa-carboxyl-ato)tetra-oxido-diuranium(VI)]].

Project description:Uranyl-carboxyl-ate hybrid materials dominate the catalog of uranyl compounds owing in part to the affinity between COO(-) functional groups and UO2 (2+). Polycarboxyl-ate organic ligands may present a degree of steric hindrance and could thus influence the resulting uranyl topology. Single crystals of the title compound, {(NH4)2[(UO2)2(C12O12)(H2O)2]} n , were synthesized hydro-thermally as a result of reacting uranyl nitrate with benzene-1,2,3,4,5,6-hexa-carb-oxy-lic acid (mellitic acid). The structure is comprised of a single unique monomeric uranyl cation adopting a penta-gonal bipyramidal geometry. The uranyl coordination sphere is composed of four O atoms originating from one half of a fully deprotonated mellitic acid ligand and a single water mol-ecule. The observed axial U-O bonds display an average distance of 1.765 (8) Å, whereas equatorial O atoms are found at an average distance of 2.40 (5) Å. All uranium-oxygen bond lengths are in good agreement with literature values. Furthermore, the coordin-ation between the uranyl penta-gonal bipyramids and the mellitic acid anion constructs a three-dimensional anionic framework which is charge-balanced with ammonium cations. Additional stabilization of the structure is provided by O-H⋯O and N-H⋯O hydrogen bonding inter-actions between the components.

| S-EPMC3998547 | biostudies-literature

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