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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.

ABSTRACT: 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.

SUBMITTER: Liu X

PROVIDER: S-EPMC2970315 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

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

Liu Xianlin X Xing Huihui H Miao Jing J Jia Maomao M Chen Zilu Z

Acta crystallographica. Section E, Structure reports online 20090919 Pt 10

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. ...[more]

PMID: 21577746

Similar Datasets

(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

(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

(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

Tetra-aqua-bis(1,10-phenanthroline)bis-[?(2)-1H-pyrazole-3,5-dicarboxyl-ato(3-)]tricopper(II) dihydrate.

Project description:The title compound, [Cu(3)(C(5)HN(2)O(4))(2)(C(12)H(8)N(2))(2)(H(2)O)(4)]·2H(2)O, is a trinuclear copper(II) complex in which two centrosymmetrically related pyrazole-3,5-dicarboxyl-ate(3-) and 1,10-phenanthroline ligands bind three Cu(II) atoms, with one Cu(II) atom located on a center of symmetry. In each complex, there are four coordinated water mol-ecules and two solvent water mol-ecules, which participate in extensive hydrogen-bond patterns. These inter-actions, as well as ?-? inter-actions between neighbouring 1,10-phenanthroline ligands [shortest atom-to-atom distance = 3.363?(3)?Å], extend the crystal structure into a three-dimensional supra-molecular network.

| S-EPMC2979153 | 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

(5,5'-Dicarboxy-biphenyl-2,2'-dicarboxyl-ato-?O,O)bis-(1,10-phenanthroline-?N,N')cobalt(II) dihydrate.

Project description:In the title compound, [Co(C(16)H(8)O(8))(C(12)H(8)N(2))(2)]·2H(2)O, the Co atom located on a twofold rotation axis. It is six-coordinated by two O atoms from one 5,5'-dicarboxy-biphenyl-2,2'-dicarboxyl-ate anion and four N atoms from two 1,10-phenanthroline mol-ecules in a distorted octa-hedral environment. The crystal packing is stabilized by O-H?O hydrogen bonds.

| S-EPMC2961536 | biostudies-literature

Bis(μ-4-chloro-2-oxidobenzoato)bis-[(1,10-phenanthroline)copper(II)] dihydrate.

Project description:The structure of the the title compound, [Cu(2)(C(7)H(3)ClO(3))(2)(C(12)H(8)N(2))(2)]·2H(2)O, consists of a dimeric unit involving a planar Cu(2)O(2) group arranged around an inversion center. The coordination sphere of the Cu(II) atom can be described as an elongated distorted square pyramid where the basal plane is formed by the two N atoms of the 1,10-phenanthroline mol-ecule and the two O atoms of the hydroxy-chloro-benzoate (hcbe) anion. The long apical Cu-O distance of 2.569 (2) Å involves the O atom of a symmetry-related hcbe anion, building up the dinuclear unit. Each dinuclear unit is connected through O-H⋯O hydrogen bonds involving two water mol-ecules, resulting in an R(4) (2)(8) graph-set motif and building up an infinite chain parallel to (10). C-H⋯O inter-actions further stabilize the chain.

| S-EPMC2983983 | 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

Bis(1H-benzotriazole-7-sulfonato-?O)bis-(1,10-phenanthroline-?N,N')cadmium dihydrate.

Project description:In the title complex, [Cd(C(6)H(4)N(3)O(3)S)(2)(C(12)H(8)N(2))(2)]·2H(2)O, the Cd(2+) cation is located on an inversion center and is coordinated by four N atoms from two symmetry-related 1,10-phenanthroline ligands and two sulfonate O atoms from two benzotriazole-7-sulfonate anions, displaying a distorted CdN(4)O(2) octa-hedral geometry. In the crystal, O-H?N, O-H?O, N-H?O, C-H?N and C-H?O hydrogen bonds occur. The lattice water mol-ecules and sulfonate O atoms as donor or acceptor atoms play important roles in the formation of these inter-actions.

| S-EPMC3238623 | biostudies-literature

Bis(2-fluoro-benzoato-?O,O')bis-(1,10-phenanthroline-?N,N')lead(II) dihydrate.

Project description:In the title compound, [Pb(C(7)H(4)FO(2))(2)(C(12)H(8)N(2))(2)]·2H(2)O, the Pb(II) atom is coordinated by four N atoms from two bidentate chelating 1,10-phenanthroline (phen) ligands and four O atoms from two 2-fluoro-benzoate ligands in an irregular polyhedral coordination geometry. Two carboxyl-ate O atoms and one F atom are each disordered over two sites with occupancy factors of 0.60 and 0.40. The dihedral angle between the two phen ligands is 89.9?(1)°. The mean inter-planar distances are alternatively of 3.44?(3) and 3.45?(3)?Å, indicating ?-? stacking inter-actions between the neighboring phen ligands. In the crystal, O-H?O, O-H?F and C-H?O hydrogen bonds link the complex mol-ecules and uncoordinated water mol-ecules into a supra-molecular network.

| S-EPMC2970442 | biostudies-literature

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