Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(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

ACCESS DATA

Json Xml

Publications

(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

Oxido[N-(2-oxidobenzyl-idene-κO)leucinato-κ²N,O](1,10-phenanthroline-κ²N,N')vanadium(IV).

Project description:In the title V(IV) complex, [VO(C₁₃H₁₅NO₃)(C₁₂H₈N₂)], the oxidovanadium cation is N,N'-chelated by a 1-10-phenanthroline ligand and N,O,O'-chelated by a Schiff base anion in a distorted octa-hedral geometry. Weak inter-molecular C-H⋯O hydrogen bonds occur in the crystal structure which contains solvent-accessible voids of 81 Å³.

| S-EPMC3393178 | 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

Triaqua-(cyclo-hex-4-ene-1,2-dicarboxyl-ato-κO(1))(1,10-phenanthroline-κ(2)N,N')cobalt(II).

Project description:In the title compound, [Co(C(8)H(8)O(4))(C(12)H(8)N(2))(H(2)O)(3)], the Co(II) atom is coordinated by two N atoms from a bidentate 1,10-phenanthroline ligand, one O atom from a monodentate 4-cyclo-hexene-1,2-dicarboxyl-ate ligand and three water O atoms in a distorted octa-hedral geometry. The mononuclear mol-ecules are engaged in extensive intra- and inter-molecular O-H⋯O hydrogen-bonding inter-actions and π-π stacking inter-actions [centroid-centroid distance = 3.784 (3) Å], forming a three-dimensional supra-molecular network.

| S-EPMC3515127 | 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

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data