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[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.

ABSTRACT: 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.

SUBMITTER: Wu R

PROVIDER: S-EPMC2915054 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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[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.

Wu Rentao R Li Jikun J Zheng Zebao Z Duan Wenzeng W

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

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. ...[more]

PMID: 21200459

Similar Datasets

Diaqua-(2,6-dioxo-1,2,3,6-tetra-hydro-pyrimidin-3-ide-4-carboxyl-ato-?N,O)(1,10-phenanthroline-?N,N')manganese(II).

Project description:The title compound, [Mn(C(5)H(2)N(2)O(4))(C(12)H(8)N(2))(H(2)O)(2)], was synthesized by the reaction of manganese(II) acetate and orotic acid in the presence of 1,10-phenanthroline. The crystal structure exhibits inter-molecular N-H?O and O-H?O hydrogen bonds . The Mn coordination environment consists of an N(3)O(3) donor set in an octa-hedral geometry.

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Diaqua-bis(8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetra-hydro-7H-purinato-?N)copper(II) dihydrate.

Project description:The title mononuclear copper(II) complex, [Cu(C(7)H(6)ClN(4)O(2))(2)(H(2)O)(2)]·2H(2)O, based on 8-chloro-theophylline (HCt), has the Cu atom at a center of symmetry in a slightly distorted trans square-planar geometry coordinated by two N atoms of two deprotonated HCt ligands and two O atoms of water mol-ecules. The crystal packing is stabilized by hydrogen bonds involving deprotonated HCt ligands, coordinated water mol-ecules and uncoordinated solvent water mol-ecules.

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Triaqua-(1,10-phenanthroline-2,9-dicarboxyl-ato)cobalt(II) dihydrate.

Project description:The title compound, [Co(C(14)H(6)N(2)O(4))(H(2)O)(3)]·2H(2)O, has two-fold crystallographic symmetry. The Co(II) atom is in a distorted penta-gonal-bipyramidal coordination environment with two N atoms and two O atoms from a tetradentate 1,10-phenanthroline-2,9-dicarboxyl-ate ligand and one O atom from a water mol-ecule forming the penta-gonal plane, and two O atoms from two water mol-ecules occupying axial positions. In the crystal, adjacent mol-ecules are linked by O-H⋯O hydrogen bonds, forming a three-dimensional network.

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N,N-Diethyl-2-hy-droxy-ethanaminium 2,6-dioxo-5-(2,4,6-trinitro-phen-yl)-1,2,3,6-tetra-hydro-pyrimidin-4-olate dihydrate.

Project description:In the title mol-ecular salt, C(6)H(16)NO(+)·C(10)H(4)N(5)O(9) (-)·2H(2)O, which crystallizes as a dihydrate, O-H⋯O hydrogen bonds link the barbiturate anion, the ethanaminium cation and the water mol-ecules of crystallization. The dihedral angle between the rings in the anion is 43.71 (8)°. In the crystal, an R(2) (2)(8) ring motif hydrogen-bonding pattern is also found involving inversion-related barbiturate rings with N-H⋯O hydrogen bonds. As a result of the various hydrogen bonds an infinite two-dimensional network, propagating in (10[Formula: see text]), is formed.

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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.

Project description: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.

| S-EPMC2960551 | biostudies-other

Trimethyl-ammonium 2,6-dioxo-5-(2,4,6-trinitro-phen-yl)-1,2,3,6-tetra-hydro-pyrimidin-4-olate.

Project description:IN THE TITLE BARBITURATE SALT (TRIVIAL NAME: trimethyl-ammonium 2,4,6-trinitro-phenyl-barbiturate), C(3)H(10)N(+)·C(10)H(4)N(5)O(9) (-), the asymmetric unit contains two sets of anion-cation moieties. The dihedral angle between the rings in the anions are 44.0 (3) and 45.7 (3)°. Adjacent anions are connected into ribbons along [100] through R(2) (2)(8) ring motifs formed by N-H⋯O hydrogen bonds involving the barbiturate rings. Attached to both sides of these ribbons via N-H⋯O hydrogen bonds are the trimethyl-ammonium cations. C-H⋯O hydrogen bonds are also observed.

| S-EPMC3254393 | biostudies-literature

catena-Poly[[bis-(μ(3)-5-hy-droxy-isophthalato)bis-(pyrazino-[2,3-f][1,10]phenanthroline)dicadmium] dihydrate].

Project description:The title coordination polymer, {[Cd(2)(C(8)H(4)O(5))(2)(C(14)H(8)N(4))(2)]·2H(2)O}(n), has a layered structure. The asymmetric unit contains two Cd(II) ions, two pyrazino-[2,3-f][1,10]phenanthroline, two 5-hy-droxy-isophthalate (hip) ligands and two lattice water mol-ecules. Each Cd(II) ion is coordinated by two N atoms from a chelating pyrazino-[2,3-f][1,10]phenanthroline and four O atoms from three different hip ligands, resulting in a distorted CdN(2)O(4) octa-hedral coordination environment. The hip ligand connects adjacent Cd(II) ions, forming forming layers parallel to (010). Intralayer O-H⋯O hydrogen bonds involving the hydroxy groups and solvent water molecules consolidate the crystal packing.

| S-EPMC3343865 | biostudies-literature

Trimethyl-ammonium 5-(2,4-dinitro-phenyl)-2,6-dioxo-1,2,3,6-tetra-hydro-pyrimidin-4-olate 0.125-hydrate.

Project description:The asymmetric unit of the title salt C3H10N(+)·C10H5N4O7 (-)·0.125H2O [trivial name: trimethyl-ammonium 5-(2,4-dinitro-phen-yl)barbiturate 0.125-hydrate], contains two independent cations, two independent anions and a 0.25-occupancy solvent water mol-ecule. In one of the cations, the C atoms are disordered over two sets of sites with refined occupancies of 0.538 (8) and 0.462 (8). In the anions, the dihedral angles between the pyrimidine and benzene rings are 42.77 (6) and 46.55 (7)°. In the crystal, N-H⋯O hydrogen bonds connect anions and cations into chains along [010]. Within these chains, R 2 (2)(8) ring motifs are formed by inversion-related barbiturate anions. The H atoms of the partial occupancy water mol-ecule were not located nor included in the refinement.

| S-EPMC3629635 | biostudies-literature

(2,9-Dimethyl-1,10-phenanthroline)(4-hydroxy-pyridine-2,6-dicarboxyl-ato)copper(II) trihydrate.

Project description:In the title complex, [Cu(C(7)H(3)NO(5))(C(14)H(12)N(2))]·3H(2)O, there are two independent neutral mol-ecules of the Cu complex along with six mol-ecules of water of hydration in the asymmetric unit. The Cu(II )atoms in each complex adopt a distorted square-pyramidal coordination geometry being penta-coordinated by one N and two O atoms of 4-hydroxy-pyridine-2,6-dicarboxyl-ate anions and two N atoms of 2,9-dimethyl-1,10-phenanthroline (dmp) molecules. In the crystal structure, there are O-H⋯O and C-H⋯O hydrogen bonds and five π-π stacking inter-actions with centroid-centroid distances in the range 3.620 (1)-3.712 (1) Å. In addition, a C-H⋯π inter-action between a heterocyclic ring of dmp is observed to reinforce the crystal cohesion.

| S-EPMC2969473 | biostudies-literature

catena-Poly[[aqua-(pyrazino[2,3-f][1,10]phenanthroline-?N,N)cobalt(II)]-?-pyrazine-2,3-dicarboxyl-ato-?NO:O].

Project description:In the title compound, [Co(C(6)H(2)N(2)O(4))(C(14)H(8)N(4))(H(2)O)](n), the Co atom is bonded to one N,N'-bidentate pyrazino[2,3-f][1,10]phenanthroline (Pyphen) ligand, one N,O-bidentate pyrazine-2,3-dicarboxyl-ate (PZDC) dianion and one water mol-ecule in a distorted octa-hedral mer-CoN(3)O(3) geometry. The Co(II) atoms are bridged by the PZDC dianions, forming an infinite one-dimensional chain running along the b axis. Adjacent chains pack together through ?-? stacking inter-actions [centroid-centroid separations = 3.498?(4) and 3.528?(4)?Å], and O-H?O and O-H?N hydrogen bonds involving the water mol-ecule complete the structure.

| S-EPMC2960716 | biostudies-literature

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