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(2,4-Dioxo-1,2,3,4-tetra-hydro-pyrimi-dine-5-carboxyl-ato-?O,O)(4-oxido-2-oxo-1,2-dihydro-pyrimidine-5-carboxyl-ato-?O,O)bis-(1,10-phenanthroline-?N,N')yttrium(III) dihydrate.

ABSTRACT: In the title compound, [Y(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, the Y(III) ion lies on a twofold rotation axis and exhibits a distorted square-anti-prismatic coordination geometry. It is chelated by two 1,10-phenanthroline ligands, a 2,4-dioxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate mono-anion and a 4-oxido-2-oxo-1,2-dihydro-pyrimidine-5-carboxyl-ate dianion. The H atom involved in an N-H?N hydrogen bond between the 1,2-dihydro-pyrimidine units has half occupancy and is disordered around a twofold rotation axis.

SUBMITTER: Xiong W

PROVIDER: S-EPMC2960551 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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(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

[2,6-Dioxo-1,2,3,6-tetra-hydro-pyrim-idine-4-carboxyl-ato(2-)]bis(pyrazino[2,3-f][1,10]phenanthroline)cobalt(II) dihydrate.

Project description:The title complex, [Co(C(5)H(2)N(2)O(4))(C(14)H(8)N(4))(2)]·2H(2)O, features a slightly distorted octa-hedral geometry for Co due to the sterical requirements of the orotic acid and pyrazino[2,3-f][1,10]phenanthroline ligands. Inter-molecular hydrogen bonding between the uncoordinated water mol-ecules and the ligand stablizes the structure of the complex.

| S-EPMC2915054 | biostudies-literature

(?-Butane-1,2,3,4-tetra-carboxyl-ato)bis-[triaqua-(1,10-phenanthroline)nickel(II)] hexa-hydrate.

Project description:The asymmetric unit of the title compound, [Ni(2)(C(8)H(6)O(8))(C(12)H(8)N(2))(2)(H(2)O)(6)]·6H(2)O, contains a half of the centrosymmetric dinuclear complex mol-ecule and three uncoordinated water mol-ecules. In the dinuclear mol-ecule, two Ni(II) cations are bridged by the butane-1,2,3,4-tetra-carboxyl-ate (BTC(4-)) anion. Each Ni(II) atom is coordinated by two N atoms from the 1,10-phenanthroline ligand, one O atom from the BTC(4-) anion and three aqua ligands in a distorted octa-hedral geometry. Inter-molecuar O-H?O hydrogen bonds and ?-? stacking inter-ations [centroid-centroid distances = 3.646?(2), 3.781?(2) and 3.642?(2)?Å] consolidate the crystal packing.

| S-EPMC3011463 | 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

(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

(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.

Project description: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.

| S-EPMC2960368 | biostudies-literature

(Cyclo-butane-1,1-di-carboxyl-ato-κ(2) O,O')(1,10-phenanthroline-κ(2) N,N')platinum(II) dihydrate.

Project description:The title compound, [Pt(C6H6O4)(C12H8N2)]·2H2O, which crystallizes as two independent formula units, has the metal atom in a square-planar geometry defined by two O atoms of the chelating cyclo-butane-1,1-di-carboxyl-ate dianion and two N atoms of the chelating 1,10-phenanthroline mol-ecule (r.m.s. deviations of the PtO2N2 units = 0.026 and 0.026 Å). Adjacent complex and water mol-ecules are connected through inter-molecular O-H⋯O hydrogen bonds and C-H⋯O, C⋯O [shortest C⋯O distance = 3.140 (5) Å], π-π [shortest C⋯C distances = 3.234 (6) and 3.347 (6) Å] and Pt⋯π [shortest Pt⋯C distance = 3.358 (4) Å] inter-actions into a three-dimensional network.

| S-EPMC3684894 | biostudies-literature

Nitrato(1,10-phenanthroline)(1H-1,2,4-triazole-3-carboxyl-ato)copper(II).

Project description:In the title complex, [Cu(C(3)H(2)N(3)O(2))(NO(3))(C(12)H(8)N(2))], the Cu(II) ion is coordinated by an N and an O atom from a bidentate 1H-1,2,4-triazole-3-carboxyl-ate (TRIA) ligand, two N atoms from a 1,10-phenanthroline (phen) ligand, and an O atom from a nitrate ligand in a slightly distorted square-pyramidal environment. In the crystal structure, inter-molecular N-H?O hydrogen bonds link mol-ecules into one-dimensional chains propagating along the b axis direction.

| S-EPMC2960337 | biostudies-literature

Chlorido(1,10-phenanthroline)(1H-1,2,4-triazole-3-carboxyl-ato)copper(II).

Project description:The title complex, [Cu(C(3)H(2)N(3)O(2))Cl(C(12)H(8)N(2))], crystallizes with two independent mol-ecules in the asymmetric unit. Each Cu(II) atom is coordinated by an N atom and an O atom from the bidentate 1H-1,2,4-triazole-3-carboxyl-ate ligand, two N atoms from the 1,10-phenanthroline ligand, and the Cl atom. The coordination geometry is based on a ClN(3)O square pyramid. In the crystal structure, the mol-ecules are linked by inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC2914951 | biostudies-literature

Bis(?-2-phenyl-quinoline-4-carboxyl-ato)bis-[aqua-(1,10-phenanthroline)(2-phenyl-quinoline-4-carboxyl-ato)manganese(II)] dihydrate.

Project description:In the centrosymmetric dinuclear title complex, [Mn(2)(C(16)H(10)NO(2))(4)(C(12)H(8)N(2))(2)(H(2)O)(2)]·2H(2)O, the Mn(II) cation is in a distorted octa-hedral coordination geometry defined by two N atoms from a 1,10-phenanthroline ligand, one water O atom and three O atoms from three 2-phenyl-quinoline-4-carboxyl-ate anions. A pair of 2-phenyl-quinoline-4-carboxyl-ate anions bridge two Mn cations, forming the dinuclear mol-ecule. An intra-moleculr O-H?O hydrogen bond occurs. Inter-molecular O-H?O and O-H?N hydrogen bonds are present in the crystal structure.

| S-EPMC3201393 | biostudies-other

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