Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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)].

ABSTRACT: 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.

SUBMITTER: Starosta W

PROVIDER: S-EPMC3884992 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

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

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

Poly[?(2)-aqua-?(2)-(pyrazine-2-carboxyl-ato)-lithium].

Project description:The structure of the title compound, [Li(C(5)H(3)N(2)O(2))(H(2)O)](n), contains an Li(I) ion with a distorted trigonal-bipyramidal coordination environment involving the N and O atoms of pyrazine-2-carboxyl-ate ligands with a bridging carboxyl-ate group, and two aqua O atoms also in a bridging mode. The symmetry-related Li(I) ions bridged by a carboxyl-ate O atom and a coordinating water O atom form an Li(2)O(2) unit with an Li?Li distance of 3.052?(4)?Å, which generates mol-ecular ribbons propagating in the c-axis direction. The ribbons are held together by a network of O-H?O hydrogen bonds in which the coordinating water mol-ecules act as donors and the carboxyl-ate O atoms as acceptors.

| S-EPMC3393196 | biostudies-literature

Poly[(aqua-calcium)-μ(4)-pyrazine-2,3-di-carboxyl-ato].

Project description:The polymeric title compound, [Ca(C(6)H(2)N(2)O(4))(H(2)O)](n), was synthesized from pyrazine-2,3-dicarb-oxy-lic acid and calcium dichloride under hydro-thermal conditions. The Ca(2+) cation is seven-coordinated by five O atoms and one N atom of four pyrazine-2,3-dicarboxyl-ate anions, and one water mol-ecule. The complete deprotonated pyrazine-2,3-dicarboxyl-ate anion adopts a μ(4)-coordination mode, resulting in the formation of a three-dimensional structure.

| S-EPMC3238750 | biostudies-literature

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].

Project description: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.

| S-EPMC4050999 | biostudies-literature

Poly[[hepta-μ(2)-aqua-bis-(μ(2)-pyrazine-2-carboxyl-ato)dibarium] bis-(pyrazine-2-carboxyl-ate)].

Project description:In the layered title coordination polymer, {[Ba(2)(C(5)H(3)N(2)O(2))(2)(H(2)O)(7)](C(5)H(3)N(2)O(2))(2)}(n), the coordination geometries around the two independent Ba(II) ions can be described as bicapped square-anti-prismatic [BaNO(9)] arrangements. A two-dimensional polymeric framework with (6,3) topology can be observed in the ac plane, the nodes being provided by Ba(II) ions and the connectors being N and O atoms belonging to pyrazine-2-carboxyl-ate ligands and O atoms of bridging water mol-ecules. Non-coordinating pyrazine-2-carboxyl-ate ions are located between the polymeric layers in the crystal and are interconnected through extensive O-H⋯N,O hydrogen bonding.

| S-EPMC3051667 | 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[[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[[[aqua-lithium(I)]-μ-pyrimidine-2-carboxyl-ato-κ(4) N (1),O (2):N (3),O (2')] hemihydrate].

Project description:The title compound, {[Li(C5H3N2O2)(H2O)]·0.5H2O} n , comprises four symmetry-independent Li(C5H3N2O2)(H2O) units which form mol-ecular ribbons running along the c-axis direction. Within each ribbon, the ligand mol-ecule, acting in a μ2-mode, bridges two adjacent Li(+) cations using both of its N,O-bonding sites. The coordination environment of each of the four Li(+) cations can be described alternatively as either slightly distorted trigonal-bipyramidal or slightly distorted square-pyramidal. The ribbons are inter-connected by a network of O-H⋯O hydrogen bonds.

| S-EPMC4331868 | biostudies-literature

catena-Poly[[(5-carb-oxy-2H-1,2,3-triazole-4-carboxyl-ato-κN,O)sodium]-di-μ-aqua-κO:O].

Project description:In the title coordination polymer, [Na(C(4)H(2)N(3)O(4))(H(2)O)(2)](n), the Na(I) atom is six-coordinated by one O atom and one N atom from a 2H-1,2,3-triazole-4-carb-oxy-5-carboxyl-ate ligand and four O atoms from four water mol-ecules, forming a distorted octa-hedal geometry. The Na(I) atoms are bridged by water mol-ecules into a chain structure along [100]. Inter-molecular N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds connect the chains. An intra-molecular O-H⋯O hydrogen bond between the carboxyl-ate groups is observed.

| S-EPMC2983283 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data