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Poly[triaquabis-(?(2)-3-carboxy-pyrazine-2-carboxyl-ato)dilithium(I)].

ABSTRACT: In the title compound, [Li(2)(C(6)H(3)N(2)O(4))(2)(H(2)O)(3)](n), the coordination number for both independent Li(+) cations is five. One of the Li(+) ions has a distorted trigonal-bipyramidal geometry, coordinated by one of the carboxyl O atoms of a 3-carboxy-pyrazine-2-carboxyl-ate ligand, two O atoms from two water mol-ecules, and an N and a carboxyl-ate O atom of a second 3-carboxy-pyrazine-2-carboxyl-ate ligand. The other Li(+) ion also has a distorted trigonal-bipyramidal geometry, coordinated by one water mol-ecule and two 3-carboxy-pyrazine-2-carboxyl-ate ligands through an N and a carboxyl-ate O atom from each. One of the carboxyl groups of the two ligands takes part in an intra-molecular O-H?O hydrogen bond. The stabilization of the crystal structure is further assisted by O-H?O, O-H?N and C-H?O hydrogen-bonding inter-actions involving the water mol-ecules and carboxyl-ate O atoms.

PROVIDER: S-EPMC2960851 | BioStudies | 2008-01-01T00:00:00Z

REPOSITORIES: biostudies

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Poly[?-aqua-diaqua-(?(2)-pyrazine-2,3-dicarboxyl-ato)dilithium(I)].

Project description:The asymmetric unit of the title compound, [Li(2)(C(6)H(2)N(2)O(4))(H(2)O)(3)](n), consists of two independent Li(+) cations, one pyrazine-2,3-dicarboxyl-ate dianion and three water mol-ecules. One of the Li(+) cations has a distorted tetra-hedral geometry, coordinated by one of the carboxyl-ate O atoms of the pyrazine-2,3-dicarboxyl-ate ligand and three O atoms from three water mol-ecules, whereas the other Li(+) cation has a distorted trigonal-bipyramidal geometry, coordinated by a carboxyl-ate O atom of a symmetry-related pyrazine-2,3-dicarboxyl-ate ligand, two water mol-ecules and a chelating pyrazine-2,3-dicarboxyl-ate ligand (by utilizing both N and O atoms) of an adjacent mol-ecule. The synthesis of a hydrated polymeric dinuclear lithium complex formed with two pyrazine-2,3-dicarboxylic acid ligands has been reported previously [Tombul et al. (2008a ?). Acta Cryst. E64, m491-m492]. By comparision to the complex reported here, the dinuclear complex formed with two pyrazine-2,3-dicarboxylic acid ligands differs in the coordination geometry of both Li atoms. The crystal structure further features O-H?O and O-H?N hydrogen-bonding inter-actions involving the water mol-ecules and carboxyl-ate O atoms.

2009-01-01 | S-EPMC2971803 | BioStudies

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

catena-Poly[[(3,5-dicarb-oxy-pyrazine-2,6-dicarboxyl-ato-?O,N,O)lithium(I)]-?-aqua-[triaqua-lithium(I)]-?-aqua].

Project description:The title coordination polymer, [Li(2)(C(8)H(2)N(2)O(8))(H(2)O)(5)](n) contains two symmetry-independent Li(+) ions; one is coordin-ated by five water O atoms, the other by an O,N,O'-tridentate doubly deprotonated pyrazine-2,3,5,6-tetra-carboxyl-ate ligand and two water O atoms. Water mol-ecules bridge adjacent Li(+) ions into ribbons propagating in [100]; an alternative analysis of the structure considers it to contain alternating [Li(C(8)H(2)N(2)O(8))(H(2)O)(2)](-) anions and [Li(H(2)O)(3)](+) cations. In the polymeric model, both lithium ions show distorted trigonal-bipyramidal coordination geometries. Within the ligand, the carboxyl H atoms participate in short, almost symmetric O?H?O hydrogen bonds in which the non-coordinated carboxyl-ate O atoms are donors and acceptors. In the crystal, the ribbons inter-act via a network of O-H?O hydrogen bonds in which the coordinated water mol-ecules act as donors and ligand carboxyl-ate O atoms as acceptors.

2010-01-01 | S-EPMC3011810 | BioStudies

Poly[di-?-aqua-?(4)-(pyrazine-2,5-dicarboxyl-ato)-dilithium(I)].

Project description:In the title coordination polymer, [Li(2)(C(6)H(2)N(2)O(2))(H(2)O)(2)](n) the pyrazine-2,5-dicarboxyl-ate dianionic ligand bridges two symmetry-independent Li(+) ions using both its N,O-chelating sites. The carboxyl-ate O atom of one of them also bridges to another Li(+) ion, while the second O atom of this group is bonded to another Li(+) ion. Two symmetry-independent water O atoms participate also in the bridging system, which gives rise to a polymeric three-dimensional framework. Both Li(+) ions show distorted trigonal-bipyramidal LiNO(4) coordination geometries, with the N atom in an axial site in both cases. The packing is consolidated by O-H?O hydrogen bonds, which occur between water mol-ecules as donors and carboxyl-ate O atoms as acceptors.

| S-EPMC3050281 | BioStudies

Poly[hexa-aqua-bis-(?(4)-pyrimidine-4,6-dicarboxyl-ato)tetra-lithium].

Project description:The asymmetric unit of the title compound, [Li(4)(C(6)H(2)N(2)O(4))(2)(H(2)O)(6)](n), comprises two Li(+) ions bridged by a completely deprotonated pyrimidine-3,6-dicarboxyl-ate ligand and coordinated by two water mol-ecules; the asymmetric units related by an inversion operation create a structural unit which forms part of a two-dimensional polymeric structure parallel to (10-1). One of the Li(+) ions shows a distorted tetra-hedral arrangement involving two symmetry-related coordinating water mol-ecules and two carboxyl-ate O atoms. The other Li(+) ion is in distorted trigonal-bipyramidal geometry defined by N and O atoms of the ligands and a water mol-ecule. Water O atoms are proton donors to carboxyl-ate O atoms forming hydrogen bonds.

| S-EPMC3470151 | BioStudies

(?-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

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

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

catena-Poly[[?(2)-aqua-diaqua-bis-(?(4)-pyridazine-3,6-dicarboxyl-ato)tetra-lithium] monohydrate].

Project description:In the polymeric structure of the title compound {[Li(2)(C(6)H(2)N(2)O(4))(2)Li(H(2)O)(2)Li(H(2)O)]·H(2)O}(n), the coordination of two independent Li(I) ions is distorted trigonal-bipyramidal and that of the other two independent Li(I) ions is distorted tetra-hedral. The former two Li(I) ions are bridged by hetero-ring N atoms of two independent pyridazine-3,6-dicarboxyl-ate ligands, making a dimeric moiety. The carboxyl-ato-O atoms of both bidentate ligands bridge the dimers to adjacent independent aqua-coordinated Li(I) ions, forming mol-ecular ribbons. The latter are bridged by ligand carboxyl-ato and aqua O atoms, forming mol-ecular layers parallel to (100) which are held together by an extended system of O-H?O hydrogen bonds.

| S-EPMC3201440 | BioStudies

Poly[hydrazin-1-ium [diaqua-bis-(?(4)-pyridazine-3,6-dicarboxyl-ato)trilithate] monohydrate].

Project description:The structure of the title compound, {(N(2)H(5))[Li(3)(C(6)H(2)N(2)O(4))(2)(H(2)O)(2)]·H(2)O}(n), is composed of mol-ecular dimers, each built up of two symmetry-related Li(I) ions with distorted trigonal-bipyramidal coordinations bridged by two deprotonated ligand mol-ecules via their N,O-bonding sites. Doubly solvated Li(I) ions with a distorted tetra-hedral geometry link adjacent dimers, forming a polymer generated by bridging bidentate carboxyl-ato O atoms to Li(I) ions in adjacent dimers, forming anionic layers parallel to the ac plane with monoprotonated hydrazinium cations and crystal water mol-ecules positioned between them. The layers are held together by an extended system of hydrogen bonds in which the hydrazinium cations and coordinated and crystal water mol-ecules act as donors and carboxyl-ate O atoms act as acceptors.

2012-01-01 | S-EPMC3343883 | BioStudies

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