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(6-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-?O,O)(4-oxido-2-oxo-1,2-dihydropyrimidin-3-ium-5-carboxyl-ato-?O,O)bis(1,10-phenanthroline-?N,N')erbium(III) dihydrate.

ABSTRACT: The erbium(III) atom in the title compound, [Er(C(5)H(2)N(2)O(4))(C(5)H(3)N(2)O(4))(C(12)H(8)N(2))(2)]·2H(2)O, is located on a twofold rotation axis and chelated by two 1,10-phenanthroline heterocycles as well as by a 2,4-dihydroxy-pyrimidine-5-car-box-yl-ate monoanion and a 2,4-dihydroxy-pyrimidine-5-car-box-yl-ate dianion in a square-anti-prismatic coordination geometry.

SUBMITTER: Xing HH

PROVIDER: S-EPMC2960368 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

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(6-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κO,O)(4-oxido-2-oxo-1,2-dihydropyrimidin-3-ium-5-carboxyl-ato-κO,O)bis(1,10-phenanthroline-κN,N')erbium(III) dihydrate.

Xing Hui-Hui HH Chen Zi-Lu ZL Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20080125 Pt 2

The erbium(III) atom in the title compound, [Er(C(5)H(2)N(2)O(4))(C(5)H(3)N(2)O(4))(C(12)H(8)N(2))(2)]·2H(2)O, is located on a twofold rotation axis and chelated by two 1,10-phenanthroline heterocycles as well as by a 2,4-dihydroxy-pyrimidine-5-car-box-yl-ate monoanion and a 2,4-dihydroxy-pyrimidine-5-car-box-yl-ate dianion in a square-anti-prismatic coordination geometry. ...[more]

PMID: 21201363

Similar Datasets

(?-6-Oxido-4-oxo-1,2-dihydro-pyrimidine-5-carboxyl-ato-?O,O:O,N)bis-[aquabis-(4-oxido-2-oxo-1,2-dihydro-pyrimidin-3-ium-5-carboxyl-ato-?O,O)-(1,10-phenanthroline-?N,N')neodymium(III)] hexa-hydrate.

Project description:The water-coordinated neodymium(III) atom in the centrosymmetric title compound, [Nd(2)(C(5)H(2)N(2)O(4))(C(5)H(3)N(2)O(4))(4)(C(12)H(8)N(2))(2)(H(2)O)(2)]·6H(2)O is chelated by a 1,10-phenanthroline heterocycle and two 2,4-dihydroxy-pyrimidine-5-carboxyl-ate dianions. Two tris-chelated water-coordinated units are bridged by a 2,4-dihydroxy-pyrimidine-5-carboxyl-ate dianion, which is disordered about a center of inversion. The metal center has a monocapped square-anti-prismatic coordination.

| S-EPMC2960306 | biostudies-literature

(4-Oxido-2-oxo-1,2-dihydro-pyrimidine-5-carboxyl-ato-?O,O)(4-oxido-2-oxo-1,2-dihydro-pyrimidin-3-ium-5-carboxyl-ato-?O,O)bis-(1,10-phenanthroline-?N,N')gadolinium(III) dihydrate.

Project description:The title compound, [Gd(C(5)H(2)N(2)O(4))(C(5)H(3)N(2)O(4))(C(12)H(8)N(2))(2)]·2H(2)O, was obtained from a solvothermal reaction of 2,4-dihydroxy-pyrimidine-5-carboxylic acid (H(3)iso), GdCl(3)·6H(2)O and 1,10-phenanthroline (phen). The Gd(III) ion is located on a twofold rotation axis and is coordinated by four N atoms from two chelating phen ligands and four O atoms (5-carboxyl-ate and 4-oxido O atoms) from H(2)iso(-) and Hiso(2-) ligands. The mol-ecules are linked into a three-dimensional network by N-H?O, N-H?N and O-H?O hydrogen bonds. The H atom involved in an N-H?N hydrogen bond is disordered around a twofold rotation axis with half occupancy.

| S-EPMC2960513 | biostudies-other

1,10-Phenanthrolin-1-ium nitrate-aqua-bis-(4-hydroxy-benzoato-?O,O')(nitrato-?O,O')(1,10-phenanthroline-?N,N')erbium(III)-1,10-phenanthroline-water (1/1/0.5/2).

Project description:In the title compound, C(12)H(9)N(2) (+)·NO(3) (-)·[Er(C(7)H(5)O(3))(2)(NO(3))(C(12)H(8)N(2))(H(2)O)]·0.5C(12)H(8)N(2)·2H(2)O, the water-mol-ecule-coordinated Er(III) ion is chelated by one 1,10-phenanthroline (phen) ligand, two 4-hy-droxy-benzoate anions and one nitrate anion in a monocapped square-anti-prismatic coordination geometry. The uncoordinating phen mol-ecule is approximately parallel to the 1,10-phenanthrolin-1-ium (Hphen) anion [dihedral angle = 3.3?(4)°]. The centroid-centroid distance of 3.801?(5)?Å between pyridine rings suggests the existence of ?-? stacking. The crystal structure contains an extensive network of classical O-H?O and N-H?O and weak C-H?O hydrogen bonds. C-H?? inter-actions between phen and 4-hy-droxy-benzoate is also present in the crystal structure. In the crystal, the uncoordinating phen is equally disordered over two sites about an inversion center.

| S-EPMC3050183 | biostudies-literature

Bis[4-oxido-2-oxo-2,3-di-hydro-pyrimidin-1-ium-5-carboxyl-ato(1.5-)-?O,O]bis-(1,10-phenanthroline-?N,N')dysprosium(III) dihydrate.

Project description:In the title compound, [Dy(C(5)H(2.5)N(2)O(4))(2)(C(12)H(8)N(2))(2)]·2H(2)O, the Dy(III) ion is located on a twofold rotation axis and is coordinated in a square-anti-prismatic geometry by two chelating 1,10-phenanthroline mol-ecules as well as two 4-oxido-2-oxo-2,3-di-hydro-pyrimidin-1-ium-5-carboxyl-ato(1.5-) anions. N-H?O and O-H?O hydrogen bonds help to stabilize the crystal structure. The H atom involved in an N-H?N hydrogen bond is disordered around a twofold rotation axis.

| S-EPMC2970315 | biostudies-literature

5,6-Dihydro-1,10-phenanthroline-1,10-diium ?-oxido-bis-[penta-fluoridotantalate(V)].

Project description:In the title compound, (C(12)H(12)N(2))[Ta(2)F(10)O], the doubly protonated 5,6-dihydro-1,10-phenantroline-1,10-diium cation is located on a twofold rotation axis, whereas the isolated [Ta(2)OF(10)](2-) dianion has -1 symmetry. In the so far unknown dianion, the symmetry-related Ta(V) atoms are octa-hedrally coordinated by five F atoms and a bridging O atom, the latter being located on an inversion centre. The two pyridine rings in the cation make a dihedral angle of 22.8?(4)°. The cations and dianions are arranged in layers parallel to (100) and are connected through N-H?F and C-H?F hydrogen-bonding inter-actions into a three-dimensional structure.

| S-EPMC3344314 | biostudies-literature

Poly[[diaqua-(1,10-phenanthroline-κN,N')(μ(3)-4-sulfonato-benzene-1,2-di-car-boxyl-ato-κO:O,O:O)erbium(III)] dihydrate].

Project description:The 4-sulfophthalate trianion in the polymeric complex, {[Er(C(8)H(3)O(7)S)(C(12)H(8)N(2))(H(2)O)(2)]·2H(2)O}(n), bridges three water/phenanthroline-coordinated Er(III) ions to form a three-dimensional network architecture. The metal atom is further chelated by a carboxyl-ate group and is covalently bonded to a monodentate carboxyl-ate group as well as to a monodentate sulfonate group in a distorted square anti-prismatic geometry. The coordinating water molecules and the lattice water molecules, one of which is disordered over two positions [major component 65 (3)%], are hydrogen bonded to the network.

| S-EPMC3274939 | biostudies-literature

5,6-Di-oxo-1,10-phenanthrolin-1-ium trifluoro-methane-sulfonate.

Project description:In the structure of the title salt, C(12)H(7)N(2)O(2) (+)·CF(3)SO(3) (-), the cation participates in hydrogen bonding with the dione group of an adjacent cation as well as with the trifluoro-methane-sulfonate anion. In addition, there is an extensive network of C-H?O inter-actions between the cations and anions. There are two formula units per asymmetric unit. The crystal studied exhibits inversion twinning.

| S-EPMC2962167 | biostudies-literature

Bis[bis-(1,10-phenanthroline-?N,N')copper(I)] ?(6)-oxido-dodeca-kis-?(2)-oxido-hexa-oxidohexa-tungsten(VI).

Project description:The title compound, [Cu(C(12)H(8)N(2))(2)](2)[W(6)O(19)], consists of two [Cu(phen)(2)](+) cations (phen = 1,10-phenanthroline) and one typical [W(6)O(19)](2-) isopolyanion. The Cu(I) atom is coordinated by four N atoms from two bidentate chelating phen ligands in a distorted tetra-hedral geometry. The hexa-tungstate anion, lying on an inversion center and possessing the well known Lindqvist structure, is formed by six edge-sharing WO(6) octa-hedra, thus exhibiting an approximate O(h) symmetry. Three kinds of O atoms exist in the hexa-tungstate, viz. terminal O(a), bridging O(b) and central O(c) atoms. Besides the electrostatic effects between the anions and cations, weak C-H?O hydrogen bonds exist between the phen ligands and O(a) or O(b) atoms. The mean inter-planar distances of 3.485?(1) and 3.344?(1)?Å indicate ?-? stacking inter-actions between neighboring phen ligands. These weak hydrogen bonds and ?-? stacking inter-actions lead to a two-dimensional network.

| S-EPMC2969434 | biostudies-literature

Tris(1,10-phenanthroline)iron(II) ?-oxido-bis-[trichloridoferrate(III)].

Project description:In the title salt, [Fe(C(12)H(8)N(2))(3)][Fe(2)Cl(6)O], the ionic components are linked into a two-dimensional supra-molecular layer by two pairs of C-H?Cl hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distances = 3.655?(4) and 3.498?(3)?Å]. The salt is characterized as a mixed-valent Fe(II)-Fe(III) compound, in which an Fe(II) atom is coordinated by three phen ligands, forming a six-coordinated cationic entity and the anionic part is formed by two Fe(III) atoms in tetra-hedral coordination environments constructed by three chloride ions and one bridging oxide ligand. Intra-molecular C-H?N hydrogen bonds are observed.

| S-EPMC3200904 | biostudies-other

Tetra-chlorido-(1,10-phenanthroline-?N,N')tin(IV) 1,2-dichloro-ethane hemisolvate.

Project description:The asymmetric unit of the title compound, [SnCl(4)(C(12)H(8)N(2))]·0.5C(2)H(4)Cl(2), contains a tin complex and one disordered half-mol-ecule of the solvent dichloro-ethane [occupancies 0.71?(2):0.29?(2)]. The six coordinate Sn(IV) atom adopts a distorted octa-hedral geometry. ?-? inter-actions between adjacent aromatic rings [interplanar distance 3.483?(5)?Å] seem to be effective in the stabilization of the crystal packing.

| S-EPMC2969692 | biostudies-literature

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