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Tetra-aqua-(pyrimidine-4,6-dicarboxyl-ato-?(2) N (1),O (6))magnesium monohydrate.

ABSTRACT: In the title compound, [Mg(C6H2N2O4)(H2O)4]·H2O, the Mg(II) ion is coordinated by a fully deprotonated pyrimidine-4,6-dicarboxyl-ate mol-ecule, via a ring N and a carboxyl-ate O atom, and by four water O atoms at the apices of a slightly distorted octa-hedron. In the crystal, mol-ecules are linked by O-H?O and O-H?N hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Starosta W

PROVIDER: S-EPMC3629473 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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Tetra-aqua-(pyrimidine-4,6-dicarboxyl-ato-κ(2) N (1),O (6))magnesium monohydrate.

Starosta Wojciech W Leciejewicz Janusz J Kiegiel Katarzyna K

Acta crystallographica. Section E, Structure reports online 20130306 Pt 4

In the title compound, [Mg(C6H2N2O4)(H2O)4]·H2O, the Mg(II) ion is coordinated by a fully deprotonated pyrimidine-4,6-dicarboxyl-ate mol-ecule, via a ring N and a carboxyl-ate O atom, and by four water O atoms at the apices of a slightly distorted octa-hedron. In the crystal, mol-ecules are linked by O-H⋯O and O-H⋯N hydrogen bonds, forming a three-dimensional network. ...[more]

PMID: 23633991

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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-literature

Poly[[hexa-aqua-bis-(?3-pyrimidine-4,6-dicarboxyl-ato)dicalcium] dihydrate].

Project description:The polymeric structure of the title compound, {[Ca2(C6H2N2O4)2(H2O)6]·2H2O} n , is built up of mol-ecular layers composed of Ca(II) ions bridged by both ligand N and O atoms with one of the O atoms being bis-monodentate. Two adjacent Ca(II) ions are bridged by these O atoms, forming a centrosymmetric dimer which is the building unit of the structure. The dimers are nodes of a cross-linked mol-ecular layer parallel to (101). The Ca(II) ion is coordinated by two bidentate ligands, one monodentate ligand and three water mol-ecules in the form of a distorted polyhedron with a coordination number of eight. Solvate water mol-ecules located between adjacent layers participate as donors and acceptors in a system of hydrogen bonds in which coordinating water mol-ecules also act as donors and non-coordinating carboxyl-ate O atoms act as acceptors.

| S-EPMC3588738 | biostudies-literature

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

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Poly[[aqua-(?(5)-3,4,5,6-tetra-carb-oxy-cyclo-hexane-1,2-dicarboxyl-ato)strontium] monohydrate].

Project description:In the title compound, {[Sr(C(12)H(10)O(12))(H(2)O)]·H(2)O}(n), the Sr(II) ion is coordinated by six O atoms of five symmetry-related 3,4,5,6-tetra-carb-oxy-cyclo-hexane-1,2-dicarboxyl-ate ligands and one water mol-ecule in a slightly distorted monocapped trigonal-prismatic environment. The ligands bridge the Sr(II) ions, forming a two-dimensional structure. In the crystal, O-H?O hydrogen bonds further connect the structure into a three-dimensional network. The H atoms of two of the carboxyl groups were refined as half-occupancy.

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Project description:The asymmetric unit of the title compound, {[CoEr(2)(C(5)H(2)N(2)O(4))(2)(SO(4))(2)(H(2)O)(4)]·H(2)O}(n), contains a Co(II) ion, two Er(III) ions, two imidazole-4,5-dicarboxyl-ate (imdc) ligands, two SO(4) (2-) anions, four coordinated water mol-ecules and one uncoordinated water mol-ecule. The Co(II) ion is six-coordinated by two O atoms from two coordinated water mol-ecules and two O atoms and two N atoms from two imdc ligands in a slightly distorted octa-hedral geometry. Both Er(III) ions are eight-coordinated in a bicapped trigonal-prismatic coordination geometry. One Er(III) ion is coordinated by four O atoms from two imidazole-4,5-dicarboxyl-ate ligands, three O atoms from three SO(4) (2-) anions and one water O atom; the other Er(III) ion is bonded to five O atoms from three imdc ligands, two O atoms from two SO(4) (2-) anions as well as one coordinated water mol-ecule. The coordinated metal units are connected by bridging imdc ligands and sulfate ions, generating a two-dimensional heterometallic layer. The two-dimensional layers are stacked along the b axis via N-H?O, O-H?O and C-H?O hydrogen-bonding inter-actions between water mol-ecules, SO(4) (2-) anions, and imdc ligands, generating a three-dimensional framework.

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Project description:The asymmetric unit of the title compound, {[CoGd(2)(C(5)H(2)N(2)O(4))(2)(SO(4))(2)(H(2)O)(4)]·H(2)O}(n), contains one Co(II) ion, two Gd(III) ions, two imidazole-4,5-dicarboxyl-ate ligands, two SO(4) (2-) anions, four coordinated water mol-ecules and one uncoordinated water mol-ecule. The Co(II) ion is six-coordinated by two O atoms from two coordinated water mol-ecules, as well as two O atoms and two N atoms from two imidazole-4,5-dicarboxyl-ate ligands, giving a slightly distorted octa-hedral geometry. Both Gd(III) ions are eight-coordinated in a distorted bicapped trigonal-prismatic geometry. One Gd(III) ion is coordinated by four O atoms from two imidazole-4,5-dicarboxyl-ate ligands, three O atoms from three SO(4) (2-) anions and a water O atom; the other Gd(III) ion is bonded to five O atoms from three imidazole-4,5-dicarboxyl-ate ligands, two O atoms from two SO(4) (2-) anions as well as a water O atom. These metal coordination units are connected by bridging imidazole-4,5-dicarboxyl-ate and sulfate ligands, generating a heterometallic layer parallel to the ac plane. The layers are stacked along the b axis via N-H?O, O-H?O, and C-H?O hydrogen-bonding inter-actions, generating a three-dimensional framework.

| S-EPMC3238650 | biostudies-literature

Poly[[octa-aqua-tetra-kis-(?(3)-pyridine-2,5-dicarboxyl-ato)copper(II)diytterbium(III)] monohydrate].

Project description:The asymmetric unit of the title heterometallic polymeric coordination compound, {[CuYb(2)(C(7)H(3)NO(4))(4)(H(2)O)(8)]·H(2)O}(n), contains one Cu(II) cation located on an inversion center, a Yb(III) cation, two pyridine-2,5-dicarboxyl-ate (pda) anions, four coordination water mol-ecules a disordered lattice water molecule, which is half-occupied and is located close to an inversion center. The Cu(II) cation is N,O-chelated by two pda anions in the coordination basal plane and further coordinated by two carboxyl O atoms at the apical positions, with an elongated octa-hedral geometry. The Yb(III) atom is eight-coordinated in a distorted square-anti-prismatic geometry formed by two carboxyl-ate O atoms from two pda anions, and is N,O-chelated by one pda anion and four coordinated water mol-ecules. The pda anions bridge adjacent Yb and Cu cations, forming a three-dimensional polymeric structure. The crystal structure features extensive O-H?O hydrogen bonds. ?-? stacking is observed between parallel pyridine rings, the centroid-centroid distance being 3.843?(4)?Å.

| S-EPMC3089069 | 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

Di-?-hydroxido-bis-[aqua-(pyridine-2,6-dicarboxyl-ato)iron(III)] monohydrate.

Project description:In the dinuclear title complex, [Fe(2)(OH)(2)(C(7)H(3)NO(4))(2)(H(2)O)(2)]·H(2)O, the two Fe atoms are separated by 3.063?(1)?Å. Inter-molecular O-H?O hydrogen bonds form an extensive three-dimensional hydrogen-bonding network, which consolidates the crystal packing.

| S-EPMC3009288 | biostudies-literature

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

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