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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

(4-Oxido-2-oxo-1,2-dihydro-pyrimidine-5-carboxyl-ato-κO,O)(4-oxido-2-oxo-1,2-dihydro-pyrimidin-3-ium-5-carboxyl-ato-κO,O)bis-(1,10-phenanthroline-κN,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-literature

(μ-6-Oxido-4-oxo-1,2-dihydro-pyrimidine-5-carboxyl-ato-κO,O:O,N)bis-[aquabis-(4-oxido-2-oxo-1,2-dihydro-pyrimidin-3-ium-5-carboxyl-ato-κO,O)-(1,10-phenanthroline-κN,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

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

Oxido{N-[(2-oxido-1-naphthyl-κO)methyl-idene]asparaginato-κO,N}(1,10-phenanthroline-κN,N')vanadium(IV) N,N-dimethyl-formamide monosolvate.

Project description:The tridentate Schiff base ligand of the title complex, [V(C(15)H(12)N(2)O(4))O(C(12)H(8)N(2))]·C(3)H(7)NO, was derived from the condensation of 2-hy-droxy-1-naphthaldehyde and l-asparagine. The central V(IV) atom is six-coordinated by one oxide O atom, two N atoms from 1,10-phenanthroline and one N atom and two O atoms from the Schiff base ligand in a distorted octa-hedral geometry. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds connect mol-ecules into centrosymmetric dimers. The C atoms of the dimethyl-formamide solvent mol-ecule are disordered over two sites with site-occupancy factors of 0.732 (13) and 0.268 (13).

| S-EPMC3007907 | 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

Chlorido(2-methyl-4-oxo-4H-pyran-3-olato-κO,O)(1,10-phenanthroline-κN,N')copper(II).

Project description:The copper(II) atoms in the two independent mol-ecules of the title compound, [Cu(C(6)H(5)O(3))Cl(C(12)H(8)N(2))], both adopt square-pyramidal geometries. The two coordinating atoms of the two heterocyclic ligands comprise the square plane, and the chlorine atom occupies the apical position of the coordination environment.

| S-EPMC2962006 | biostudies-literature

Triaqua-(1,10-phenanthroline-κN,N')(sulfato-κO)zinc(II).

Project description:The Zn(II) atom in the title compound, [Zn(SO(4))(C(12)H(8)N(2))(H(2)O)(3)], is coordinated by one O atom from a sulfate dianion, two N atoms from a 1,10-phenanthroline mol-ecule and three water O atoms in an octa-hedral geometry. An intra-molecular O-H⋯O hydrogen bond occurs. Inter-molecular O-H⋯O hydrogen bonds generate a layer structure parallel to (001). There are weak C-H⋯O inter-actions within the layers.

| S-EPMC3051486 | biostudies-literature

(Croconato-κO,O')bis-(1,10-phenanthroline-κN,N')zinc(II).

Project description:In the title compound, [Zn(C(5)O(5))(C(12)H(8)N(2))(2)], the Zn atom is in a slightly distorted octa-hedral environment. The mol-ecule lies across a twofold rotation axis, around which two 1,10-phenanthroline ligands are arranged. There are short contacts between the 1,10-phenanthroline groups and the O atoms of the croconate ligand, which probably stabilize the crystal structure via weak C-H⋯O interactions.

| S-EPMC2960028 | biostudies-literature

mer-Triaqua-(1,10-phenanthroline-κN,N')(sulfato-κO)magnesium(II).

Project description:In the title compound, [Mg(SO(4))(C(12)H(8)N(2))(H(2)O)(3)], the Mg(II) centre exhibits a slightly distorted octa-hedral coordination environment defined by two N atoms from a 1,10-phenanthroline mol-ecule, one O atom from a sulfate dianion and three meridionally arranged O atoms from coordinated water mol-ecules. The crystal structure involves intra- and intermolecular O-H⋯O hydrogen bonds.

| S-EPMC2961340 | biostudies-literature

(Croconato-κO,O')bis-(1,10-phenanthroline-κN,N')manganese(II).

Project description:The title complex, [Mn(C(5)O(5))(C(12)H(8)N(2))(2)], lies across a crystallographic twofold axis which passes through the Mn atom and bisects the croconate ligand. The two 1,10-phenanthroline (phen) ligands are arranged in a propeller manner and the local mol-ecular geometry of the MnN(4)O(2) unit is severely distorted octa-hedral. This may be inter-preted as a structural perturbation of the MnN(4) square by the croconate ligand. In the crystal structure, the dipole moments of the mol-ecules are arranged alternately along the +b and -b directions. All the phen ligands are involved in π stacking inter-actions, alternately along the [110] and [10] directions. The alternate spacings between the neighbouring phen planes in the one-dimensional π stacks are 3.361 (2) and 3.526 (2) Å.

| S-EPMC2915107 | biostudies-literature

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