Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Hexaaqua-copper(II) bis-(tetra-fluorido-borate)-pyrazine 1,4-dioxide (1/3).

ABSTRACT: The crystal structure of the title compound, [Cu(H2O)6](BF4)2·3C4H4N2O2, comprises discrete [Cu(H2O)6](2+) cations and BF4 (-) anions along with three equivalents of pyrazine 1,4-dioxide (pzdo). The hexa-aqua-copper(II) ion and all three pzdo mol-ecules lie about crystallographic inversion centers. The lattice is supported by an extensive hydrogen-bonding network. O-H?O hydrogen bonding between the [Cu(H2O)6](2+) and pzdo units creates a pseudo-hexa-gonal lattice parallel to the bc plane. The BF4 (-) anions lie in the voids of that lattice, held in place by O-H?F hydrogen bonds, and also generate BF4 (-)-pzdo-BF4 (-)-pzdo stacks via short F?N contacts [2.866?(3)-3.283?(4)?Å].

SUBMITTER: Wikaira JL

PROVIDER: S-EPMC3629502 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Hexaaqua-copper(II) bis-(tetra-fluorido-borate)-pyrazine 1,4-dioxide (1/3).

Wikaira Jan L JL Landee Christopher P CP Turnbull Mark M MM

Acta crystallographica. Section E, Structure reports online 20130323 Pt 4

The crystal structure of the title compound, [Cu(H2O)6](BF4)2·3C4H4N2O2, comprises discrete [Cu(H2O)6](2+) cations and BF4 (-) anions along with three equivalents of pyrazine 1,4-dioxide (pzdo). The hexa-aqua-copper(II) ion and all three pzdo mol-ecules lie about crystallographic inversion centers. The lattice is supported by an extensive hydrogen-bonding network. O-H⋯O hydrogen bonding between the [Cu(H2O)6](2+) and pzdo units creates a pseudo-hexa-gonal lattice parallel to the bc plane. The BF ...[more]

PMID: 23634020

Similar Datasets

Acetonitrile-bis-(2,9-dimethyl-1,10-phen-an-throline)copper(II) bis-(tetra-fluorido-borate).

Project description:The title compound, [Cu(CH(3)CN)(C(12)H(12)N(2))(2)](BF(4))(2), crystallizes with two copper-containing cations and four tetra-fluoro-borate anions in the asymmetric unit. The structure represents a second crystal form of the salt, the first being an acetonitrile solvate [Watton (2009 ?). Acta Cryst. E65, m585-m586]. The complex cation has a distorted trigonal-bipyramidal geometry, whereas the previous structure exhibits a distorted square-pyramidal geometry. One of the four BF(4) (-) counter-ions is disordered, with a refined site occupancy of 0.8615?(17):0.1385?(17).

| S-EPMC3009076 | biostudies-literature

Bis(di-2-pyridylmethane-diol-κN,O,N')copper(II) bis-(tetra-fluorido-borate) dihydrate.

Project description:The title complex, [Cu(C(11)H(10)N(2)O(2))(2)](BF(4))(2)·2H(2)O, was isolated as a dihydrate from a 1:2 molar mixture of copper(II) tetra-fluoridoborate hexa-hydrate with di-2-pyridyl ketone in aqueous solution. The centrosymmetric complex cation is structurally similar to that found in previously reported salts and exhibits Cu-O bonds deviating by 25 degrees from an octa-hedral geometry by the so-called 'off-axis angle' distortion. The BF(4) (-) anion exhibits a two site disorder of the fluorine atoms [ratio 0.210 (8):0.790 (8)].

| S-EPMC2969716 | biostudies-literature

catena-Poly[[copper(II)-bis-[μ-bis-(pyridin-3-yl)methanone-κN:N']] bis-(tetra-fluorido-borate)].

Project description:In the title complex, {[Cu(C(11)H(8)N(2)O)(2)](BF(4))(2)}(n), the Cu(II) ion is situated on an inversion centre and adopts an N(4)F(2) octa-hedral coordination geometry with four N atoms from four different bis-(pyridin-3-yl)methanone ligands at the equatorial sites and two independent tetra-fluoridoborate anions weakly bonded at the axial sites via two F atoms [Cu⋯F = 2.613 (3) Å]. Chains with the bridging ligands are formed along the a axis. C-H⋯F inter-actions stabilize the structure. C-O⋯π inter-actions also occur.

| S-EPMC3238772 | biostudies-literature

Tetra-pyrazine-platinum(II) bis-(tetra-fluoro-borate) acetonitrile hemisolvate.

Project description:The improved synthesis and characterization of tetra-pyrazine-platinum(II) bis-(tetra-fluoro-borate) acetonitrile hemisolvate, [Pt(C(4)H(4)N(2))(4)](BF(4))(2)·0.5CH(3)CN, is reported. The unit cell contains a half equivalent of an acetonitrile solvent mol-ecule per tetra-pyrazine-platinum(II) ion. The coordination geometry of the Pt(II) ion is almost square-planar, with the Pt atom residing on an inversion center. The BF(4) (-) counter-anion, located at a general position, has an idealized tetra-hedral geometry and an acetonitrile solvent mol-ecule, the methyl group of which is disordered over two equal positions, sits on a twofold rotation axis.

| S-EPMC2959766 | biostudies-literature

Bis[5-(2-pyrid-yl)pyrazine-2-carbonitrile]-silver(I) tetra-fluorido-borate.

Project description:In the title mononuclear complex, [Ag(C(10)H(6)N(4))(2)]BF(4), the Ag(I) atom adopts a square-planar N(4 )coordination geometry and is surrounded by two 5-(2-pyrid-yl)pyrazine-2-carbonitrile ligands. The tetra-fluorido-borate anions link the mononuclear cations through inter-molecular C-H⋯F hydrogen-bonding inter-actions, forming an infinite tape structure along [110]. Other weak inter-actions occur: π-π stacking with centroid-centroid distances of 3.820 (2) and 3.898 (1) Å between pyridyl rings and 3.610 (2) and 3.926 (2) Å between pyrazinyl rings as well as F⋯π contacts involving the tetra-fluorido-borate anions and pyrazine rings [F⋯centroid = 2.999 (3) Å]; these combine with the hydrogen-bonding inter-actions to link the mononuclear cations into a three-dimensional supra-molecular architecture.

| S-EPMC2983161 | biostudies-literature

catena-Poly[[[aqua-copper(II)]bis-[?-bis(3,5-dimethyl-1H-pyrazol-4-yl) selenide]] bis-(tetra-fluorido-borate) bis-(triphenyl-phosphine oxide) monohydrate].

Project description:The title compound, {[Cu(C(10)H(14)N(4)Se)(2)(H(2)O)](BF(4))(2)·2C(18)H(15)PO·H(2)O}(n), has a polymeric structure where each Cu(II) ion adopts a square-pyramidal coordination constituted by four N atoms of pyrazole moieties in the equatorial plane and an axial O atom of a water mol-ecule. A pair of bis-(3,5-dimethyl-1H-pyrazol-4-yl) selenide ligands bridges the Cu(II) centres into a chain extending along the c axis. The water mol-ecules, anions and triphenyl-phosphine oxide mol-ecules are involved in inter-molecular hydrogen bonding, which links the chains into a three-dimensional network.

| S-EPMC2979014 | biostudies-literature

1,1'-Dimethyl-4,4'-bipyridinium bis-(tetra-fluorido-borate).

Project description:In the title compound, C(12)H(14)N(2) (2+)·2BF(4) (-), the cation has a centre of symmetry at the mid-point of the central C-C bond. π-π inter-actions, with a shortest atom-to-atom distance of 3.757 (4) Å, extend the crystal structure into a one-dimensional supra-molecular chain.

| S-EPMC2915310 | biostudies-literature

Hexaaqua-copper(II) dichloride bis-(hexa-methyl-enetetra-mine) tetra-hydrate.

Project description:The title compound, [Cu(H(2)O)(6)]Cl(2)·2C(6)H(12)N(4)·4H(2)O, was prepared under mild hydro-thermal conditions. The asymmetric unit consists of one half of the [Cu(H(2)O)(6)](2+) cation, a hexa-methyl-enetetra-mine mol-ecule, two solvent water mol-ecules and a chloride ion. The formula unit is generated by crystallographic inversion symmetry. The Cu atom lies on a crystallographic inversion centre. It is in a slightly distorted octa-hedral coordination environment. In the crystal structure, inter-molecular O-H⋯O, O-H⋯N and O-H⋯Cl hydrogen bonds link the components into a three-dimensional network.

| S-EPMC2961946 | biostudies-literature

4,4'-Bis(acetyl-amino)-1,1'-ethyl-enedipyridinium bis-(tetra-fluorido-borate).

Project description:In the organic cation of the title compound, C(16)H(20)N(4)O(2) (2+)·2BF(4) (-), the pyridinium rings are nearly parallel, with a dihedral angle of 12.54 (12)°. The crystal packing is stabilized by N-H⋯F, C-H⋯F and C-H⋯O hydrogen bonds.

| S-EPMC2914995 | biostudies-literature

μ-Pyrazine-bis-[tetra-aqua-cadmium(II)] μ-pyrazine-bis-[tetra-acetato-cadmium(II)].

Project description:In the title dinuclear ionic complex, [Cd(2)(C(4)H(4)N(2))(H(2)O)(8)][Cd(2)(CH(3)CO(2))(8)(C(4)H(4)N(2))], the cation and anion are disordered equally over a site with symmetry mmm. The Cd(II) ions and the N atoms of the bridging pyrazine ligand lie on the inter-section of two crystallographic mirror planes. The C atoms of the bridging pyrazine ligand lie on one of these mirror planes, and the acetate groups and water mol-ecules lie across the inter-secting mirror planes. Each Cd(II) atom in the cation is five-coordinated by four O atoms from four water mol-ecules and one N atom from the bridging pyrazine ligand, whereas each Cd(II) in the anion is nine-coordinated by four pairs of O atoms from the bidentate acetate ligands and one N atom from the bridging pyrazine ligand. In the crystal structure, each anion is surrounded by eight nearest-neighbour cations and vice versa. The crystal structure is stabilized by ionic inter-actions as well as by C-H⋯O inter-actions.

| S-EPMC2961302 | 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