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(?-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.

ABSTRACT: 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.

SUBMITTER: Starosta W

PROVIDER: S-EPMC4011240 | biostudies-literature | 2014 May

REPOSITORIES: biostudies-literature

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

Starosta Wojciech W Leciejewicz Janusz J

Acta crystallographica. Section E, Structure reports online 20140409 Pt 5

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 proto ...[more]

PMID: 24860306

Similar Datasets

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[?(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)-?(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 ?(4)-coordination mode, resulting in the formation of a three-dimensional structure.

| S-EPMC3238750 | biostudies-literature

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[[tetra-aqua-?-aqua-bis-(?(4)-pyrimidine-2-carboxyl-ato)tetra-lithium] dichloride].

Project description:The asymmetric unit of the title compound, [Li(4)(C(5)H(3)N(2)O(2))(2)(H(2)O)(5)]Cl(2), contains two Li(I) cations, one with a distorted trigonal-bipyramidal and the other with a distorted tetra-hedral coordination geometry. Two symmetry-related asymmetric units constitute a building block of the structure, in which both ligand carboxyl-ate O atoms are bidentate and bridge the metal ions, forming a divalent cation. Charge balance is maintained by two chloride anions. The building blocks, bridged by Li(I) cations, form cationic ribbons with chloride anions in the space between them. The ribbons propagate in [010] and are held together by a network of weak O-H?O hydrogen bonds which operate in the space between adjacent ribbons.

| S-EPMC3515122 | biostudies-literature

Poly[di-?(2)-aqua-?(2)-(5-methyl-pyrazine-2-carboxyl-ato)-(5-methyl-pyrazine-2-carboxyl-ato)-?(3)-nitrato-trilithium].

Project description:The asymmetric unit of the title compound, [Li(3)(C(6)H(5)N(2)O(2))(2)(NO(3))(H(2)O)(2)](n) contains three Li(I) ions, two ligand anions, two water mol-ecules and a nitrate anion. Related by a centre of inversion, they form a centrosymmetric mol-ecular cluster in which one of the Li(I) ions shows trigonal-bipyramidal and the other two distorted tetra-hedral coordination. Li(I) ions are bridged by water O atoms and carboxyl-ate O atoms donated by one of the ligands. The clusters, bridged by two nitrato O atoms, form mol-ecular columns along [010], which are held together by O-H?O and O-H?N hydrogen bonds and ?-? inter-actions [centroid-centroid distances = 3.694?(1) and 3.796?(1)?Å].

| S-EPMC3152134 | biostudies-literature

Poly[?6-(naphthalene-2,6-di-carboxyl-ato)-bis-(aqua-lithium)].

Project description:The title compound, [Li2(C12H6O4)(H2O)2] n , crystallizes with one half of the molecular entities in the asymmetric unit. The second half is gererated by inversion symmetry. The crystal structure has a layered arrangement built from distorted edge-sharing LiO3(OH)2 tetra-hedra parallel to (100), with naphthalenedi-carboxyl-ate bridging the LiO3(OH)2 layers along the [100] direction. Hydrogen bonding between the water molecule and adjacent carboxylate groups consolidates the packing.

| S-EPMC4158488 | biostudies-literature

catena-Poly[[[dipyridine-copper(II)]-?-2,3,5,6-tetra-methyl-benzene-1,4-di-carboxyl-ato] monohydrate].

Project description:In the title complex, {[Cu(C(12)H(12)O(4))(C(5)H(5)N)(2)]·H(2)O}(n), the Cu(II) ion lies on an inversion center and is coordinated by two O atoms from two 2,3,5,6-tetra-methyl-benzene-1,4-dicarboxyl-ate (TBDC) ligands and two N atoms from two pyridine ligands in a slightly distorted square-planar environment. The TBDC ligands act as bridging ligands, forming chains along [110]. These chains are further linked into a two-dimensional network via inter-molecular O-H?O hydrogen bonds. The solvent water mol-ecule lies on a twofold rotation axis.

| S-EPMC2983187 | biostudies-other

Bis(?(3)-pyrimidine-4-carboxyl-ato)bis-(?(2)-pyrimidine-4-carboxyl-ato)tetra-kis-(aqua-lithium).

Project description:The asymmetric unit of the title compound, [Li(4)(C(5)H(3)N(2)O(2))(4)(H(2)O)(4)], contains two symmetry-independent Li(I) ions, two symmetry-independent ligands and two symmetry-independent coordinated water mol-ecules. They form a dinuclear unit in which the two Li(I) ions are bridged by two carboxyl-ate O atoms from the two ligands. Two dinuclear units related by an inversion centre form the tetra-meric mol-ecule. One of the Li(I) ions shows a distorted tetra-hedral coordination geometry, the other a distorted trigonal-bipyramidal environment. The tetra-mers are held together by hydrogen bonds in which coordinated water mol-ecules act as donors, and the carboxyl-ate O atoms act as acceptors. A hydrogen bond between coordinated water molecule as donor and a ring N atom as acceptor is also observed.

| S-EPMC3414128 | biostudies-literature

Poly[bis-(ethanol)(?4-2,3,5,6-tetra-fluoro-benzene-1,4-di-carboxyl-ato)cadmium].

Project description:In the title compound, [Cd(C8F4O4)(C2H5OH)2] n , the Cd(II) cation sits on an inversion centre and is coordinated by six O atoms from four tetra-fluoro-benzene-1,4-di-carboxyl-ate anions and two ethanol mol-ecules in a distorted octa-hedral geometry. The anionic ligand is also located on an inversion centre, and connects four Cd(II) cations, generating a two-dimensional polymeric layer parallel to the ab plane. Within the layer, the ethanol mol-ecule links F and O atoms of the nearest anionic ligands via O-H?O and O-H?F hydrogen bonds. The ethyl group of the ethanol mol-ecule is disordered over two positions with an occupancy ratio of 0.567?(10):0.433?(10).

| S-EPMC3884245 | biostudies-literature

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