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Catena-Poly[[lithium-μ2-(di-hydrogen pyrazine-2,3,5,6-tetra-carboxyl-ato)-κ(6) O (2),N (1),O (6);O (3),N (4),O (5)-lithium-di-μ-aqua-κ(4) O:O] 2.5-hydrate].

ABSTRACT: The title coordination polymer, {[Li2(C8H2N2O8)(H2O)2]·2.5H2O} n , is built up from mol-ecular ribbons propagating in the c-axis direction of the ortho-rhom-bic unit cell; the ligand bridges two Li(+) ions using both its N,O,O'-bonding sites and adjacent Li(+) ions are bridged by pairs of water mol-ecules. The coordination geometry of the metal ion is distorted trigonal bipyramidal, with the ligand O atoms in the axial sites. Two of the carboxyl-ate groups of the ligand remain protonated and form short symmetric O-H⋯O hydrogen bonds. In the crystal, the ribbons inter-act via a network of O-H⋯O hydrogen bonds in which coordinating water mol-ecules act as donors and carboxyl-ate O atoms within adjacent ribbons act as acceptors, giving rise to a three-dimensional framework. O-H⋯N inter-actions are also observed. The asymmetric unit contains quarter of the ligand and the complete ligand has 2/m symmetry; the Li(+) ion lies on a special position with m.. site symmetry. Both bridging water mol-ecules have m2m site symmetry and both lattice water mol-ecules have m.. site symmetry; one of the latter was modelled with a site occupancy of 0.25.

SUBMITTER: Starosta W

PROVIDER: S-EPMC4050999 | biostudies-literature |

REPOSITORIES: biostudies-literature

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catena-Poly[[(6-carb-oxy-pyrazine-2-carboxyl-ato)lithium]-?-aqua].

Project description:The asymmetric unit of the title compound, [Li(C(6)H(3)N(2)O(4))(H(2)O)](n), contains an Li(I) ion with a distorted trigonal-bipyramidal coordination environment. It is chelated by a singly protonated ligand mol-ecule via its heterocyclic N atom, by two O aoms, each donated by an adjacent carboxyl-ate group, and is further coordinated by a water O atom which acts as a bridge, forming a mol-ecular ribbon. A proton attached to one of the carboxyl-ate O atoms is situated on an inversion centre and forms a short centrosymmetric hydrogen bond, generating mol-ecular layers parallel to the ac plane. These layers are held together by weak O-H?O hydrogen bonds in which the coordinated water mol-ecules act as donors, whereas carboxyl-ate O atoms are acceptors.

| S-EPMC3238630 | biostudies-literature

catena-Poly[[aqua-lithium(I)]-μ-3-carb-oxy-5,6-di-methyl-pyrazine-2-carboxyl-ato-κ(4) O (2),N (1):O (3),N (4)].

Project description:The asymmetric unit of the title compound, [Li(C8H6N2O4)(H2O)] n , comprises three Li cations, two of which are located on a twofold rotation axis, two carboxylate anions and three water mol-ecules, of which two are situated on the twofold rotation axis being aqua ligands. Both carboxylate anions are in μ2-bridging mode. All Li ions show a trigonal-bipyramidal coordination mode; the two located in special positions are bridged through N,O-bonding sites generating a polymeric ribbon along the c-axis direction. The Li cation in a general position creates an independent polymeric ribbon through N,O-bonding sites of the two symmetry-related ligands; the trigonal-bipyramidal coordination is completed by an aqua ligand. In both carboxylate anions, a carboxyl-ate and a carb-oxy-lic acid group form an intra-molecular hydrogen bond. The polymeric ribbons running along [001] are inter-connected by hydrogen bonds in which the water mol-ecules act as donors and carboxyl-ate O atoms act as acceptors, giving rise to a three-dimensional architecture.

| S-EPMC3884992 | biostudies-literature

catena-Poly[[di-aqua-bis-(4-formyl-benzo-ato-κO (1))nickel(II)]-μ-pyrazine-κ(2) N:N'].

Project description:In the title polymeric compound, [Ni(C8H5O3)2(C4H4N2)(H2O)2] n , the Ni(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 the bridging pyrazine ligand, which is 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 7.0 (6)°, while the benzene and pyrazine rings are oriented at a dihedral angle of 66.2 (3)°. The pyrazine ligands bridge the Ni(II) cations, forming polymeric chains running along the b-axis direction. Intra-molecular O-H⋯O hydrogen bonds link the water ligands to the carboxyl-ate O atoms. In the crystal, water-water O-H⋯O hydrogen bonds link adjacent chains into layers parallel to the bc plane. Pyrazine-formyl C-H⋯O hydrogen bonds link the layers, forming a three-dimensional network. There are also weak C-H⋯π inter-actions present. The title compound is isotypic with the copper(II) complex [Çelik et al. (2014a). Acta Cryst. E70, m4-m5].

| S-EPMC3998267 | biostudies-literature

Crystal structure of catena-poly[[[(2-eth-oxy-pyrazine-κN)copper(I)]-di-μ2-cyanido] [copper(I)-μ2-cyanido]].

Project description:In the asymmetric unit of the title coordination compound, {[Cu(CN)(C4H3OC2H5N2)][Cu(CN)]} n , there are two Cu atoms with different coordination environments. One CuI ion is coordinated in a triangular coordination geometry by the N atom of the 2-eth-oxy-pyrazine mol-ecule and by two bridging cyanide ligands, equally disordered over two sites exchanging C and N atoms, thus forming polymeric chains parallel to the c axis. The other Cu atom is connected to two bridging cyanide groups disordered over two sites with an occupancy of 0.5 for each C and N atom, and forming an almost linear polymeric chain parallel to the b axis. In the crystal, the two types of chain, which are orthogonal to each other, are connected by cuprophilic Cu⋯Cu inter-actions [2.7958 (13) Å], forming two-dimensional metal-organic coordination layers parallel to the bc plane. The coordination framework is further stabilized by weak long-range (electrostatic type) C-H⋯π inter-actions between cyano groups and 2-eth-oxy-pyrazine rings.

| S-EPMC6829724 | biostudies-literature

Isotypic one-dimensional coordination polymers: catena-poly[[di-chlorido-cadmium]-μ-5,6-bis-(pyridin-2-yl)pyrazine-2,3-di-carboxyl-ato-κ(2) N (5):N (6)] and catena-poly[[di-chlorido-mercury(II)]-μ-5,6-bis-(pyridin-2-yl)pyrazine-2,3-di-carboxyl-ato-κ(2) N (5):N (6)].

Project description:The isotypic title one-dimensional coordination polymers, [CdCl2(C18H14N4O4)] n , (I), and [HgCl2(C18H14N4O4)] n , (II), are, respectively, the cadmium(II) and mercury(II) complexes of the dimethyl ester of 5,6-bis-(pyridin-2-yl)pyrazine-2,3-di-carb-oxy-lic acid. In both compounds, the metal ions are located on a twofold rotation axis and a second such axis bis-ects the Car-Car bonds of the pyrazine ring. The metal ions are bridged by binding to the N atoms of the two pyridine rings and have an MN2Cl2 bisphenoidal coordination geometry. The metal-Npyrazine distances are much longer than the metal-Npyridine distances; the difference is 0.389 (2) Å for the Cd-N bonds but only 0.286 (5) Å for the Hg-N bond lengths. In the crystals of both compounds, the polymer chains are linked via pairs of C-H⋯Cl hydrogen bonds, forming corrugated slabs parallel to the ac plane.

| S-EPMC4971876 | biostudies-literature

(?-Di-hydrogen pyrazine-2,3,5,6-tetra-carboxyl-ato-?(6) O (2),N (1),O (6);O (3),N (4),O (5))bis-(di-aqua-lithium) monohydrate.

Project description:The structure of the title compound, [Li2(C8H2N2O8)(H2O)4]·H2O, is composed of dinuclear mol-ecules in which the ligand bridges two symmetry-related Li(I) ions, each coordinated also by two water O atoms, in an O,N,O'-manner. The Li and N atoms occupy special positions on twofold rotation axes, whereas a crystal water mol-ecule is located at the inter-section of three twofold rotation axes. The Li(I) cation shows a distorted trigonal-bipyramidal coordination. Two carboxyl-ate groups remain protonated and form short inter-ligand hydrogen bonds. The mol-ecules are held together by a network of hydrogen bonds in which the coordinating and solvation water mol-ecules act as donors and carboxyl-ate O atoms as acceptors, forming a three-dimensional architecture.

| S-EPMC4011240 | biostudies-literature

catena-Poly[[[bis-(3-amino-pyrazine-2-carboxyl-ato)triaqua-praseodymium(III)]-μ-3-amino-pyrazine-2-carboxyl-ato-[(3-amino-pyrazine-2-carboxyl-ato)diaqua-formatopraseodymium(III)]-μ-3-amino-pyrazine-2-carboxyl-ato] hexa-hydrate].

Project description:The asymmetric unit of the polymeric title compound, {[Pr(2)(C(5)H(4)N(3)O(2))(5)(CHO(2))(H(2)O)(5)]·6H(2)O}(n), has two independent Pr(III) atoms; one is coordinated by two water mol-ecules and the other by three water mol-ecules. The first is N,O-chelated by three 3-amino-pyrazine-2-carboxyl-ate ions, whereas the second is chelated by two carboxyl-ate ions; both exist in a monocapped square-anti-prismatic geometry. The polymeric chains that run along the a axis inter-act with the lattice water mol-ecules, generating a three-dimensional hydrogen-bonded network. The formate ion is disordered over two positions with respect to the non-coordinated atoms in a 1:1 ratio.

| S-EPMC3200950 | biostudies-literature

catena-Poly[[cobalt(II)-?-aqua-di-?-butano-ato-?O:O';?O:O] 0.7-hydrate].

Project description:In the title coordination polymer, {[Co(C(3)H(7)COO)(2)(H(2)O)]·0.7H(2)O}(n), the Co(2+) cation is coordinated by four bridging butano-ate anions and two bridging water mol-ecules in a severely distorted octa-hedral geometry. The Co(2+) cations are linked by means of bridging ligands into polymeric chains along [010]. These chains are further connected to each other through hydrogen bonds involving partially occupied disordered water mol-ecules; thus, sheets parallel to (001) are formed. One of the positions of disordered water O atom lies on a twofold axis. Two atoms of the aliphatic chain of one of the butanoate anions are disordered over two positions each.

| S-EPMC3120566 | biostudies-literature

Crystal structure of catena-poly[calcium-di-μ3-benzoato-κ(6) O,O':O-μ2-(dimethyl sulfoxide)-κ(2) O:O].

Project description:In the title complex, [Ca(C7H5O2)2(C2H6OS)] n , the Ca(2+) ion (site symmetry m..) is surrounded by eight O atoms, six from two bridging-chelating tridentate benzoate carboxyl groups and two from a bridging dimethyl sulfoxide mol-ecule (point group symmetry m..), giving an irregular coordination geometry [Ca-O bond length range = 2.345 (2)-2.524 (2) Å]. One-dimensional coordination complex chains extending parallel to c are generated in which the triply μ2-O-bridged Ca(2+) cations are separated by 3.6401 (5) Å. In the crystal, weak intra-chain C-H⋯π hydrogen bonds are present between the methyl H atoms of the dimethyl sulfoxide mol-ecules as donors and the aromatic rings as acceptors [C-H⋯Cg = 3.790 (4) Å].

| S-EPMC4571353 | biostudies-literature

Poly[di-methyl-ammonium [(μ2-benzene-1,2-di-carboxyl-ato-κ(2) O (1):O (3))[μ2-3-(pyri-din-4-yl)-1H-pyrazol-1-ido-κ(2) N (1):N (3)]cuprate(II)]].

Project description:In the title complex, {(C2H8N)[Cu(C8H4O4)(C8H6N3)]} n , there are two Cu(II) cations (each located on a centre of inversion), one benzene-1,2-di-carboxyl-ate dianion, one 3-(pyridin-4-yl)-1H-pyrazol-1-ide anion and one di-methyl-ammonium cation in the asymmetric unit. The di-methyl-ammonium cation was highly disordered and was treated with the SQUEEZE routine in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155]; the crystallographic data takes into account the presence of the cation. Each Cu(II) cation exhibits a square-planar coordination geometry. A benzene-1,2-di-carboxyl-ate dianion bridges two Cu(II) cations, building a linear chain along [001]. The chains are connected by 3-(pyridin-4-yl)-1H-pyrazol-1-ide anions, constructing a layer parallel to (101). The layers are assembled into a three-dimensional supra-molecular network through C-H⋯π inter-actions.

| S-EPMC3772430 | biostudies-literature

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