Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis[1-meth-oxy-2,2,2-tris-(pyrazol-1-yl-?N (2))ethane]-nickel(II) bis-(tri-fluoro-methane-sulfonate) dihydrate.

ABSTRACT: In the title salt, [Ni(C12H14N6O)2](CF3SO3)2·2H2O, the Ni(II) cation is located on an inversion centre and is coordinated by six N atoms from two tridentate 1-meth-oxy-2,2,2-tris-(pyrazol-1-yl)ethane ligands in a distorted octa-hedral geometry. The Ni-N distances range from 2.0594?(12) to 2.0664?(12)?Å, intra-ligand N-Ni-N angles range from 84.59?(5) to 86.06?(5)°, and adjacent inter-ligand N-Ni-N angles range between 93.94?(5) and 95.41?(5)°. In the crystal, inversion-related pyrazole rings are ?-? stacked, with an inter-planar spacing of 3.4494?(18)?Å, forming chains that propagate parallel to the a-axis direction. Inter-molecular O-H?O hydrogen bonds are present between water mol-ecules and tri-fluoro-methane-sulfonate anions.

SUBMITTER: Lyubartseva G

PROVIDER: S-EPMC3790345 | biostudies-other | 2013

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Bis[1-meth-oxy-2,2,2-tris-(pyrazol-1-yl-κN (2))ethane]-nickel(II) bis-(tri-fluoro-methane-sulfonate) dihydrate.

Lyubartseva Ganna G Parkin Sean S Mallik Uma Prasad UP

Acta crystallographica. Section E, Structure reports online 20130904 Pt 10

In the title salt, [Ni(C12H14N6O)2](CF3SO3)2·2H2O, the Ni(II) cation is located on an inversion centre and is coordinated by six N atoms from two tridentate 1-meth-oxy-2,2,2-tris-(pyrazol-1-yl)ethane ligands in a distorted octa-hedral geometry. The Ni-N distances range from 2.0594 (12) to 2.0664 (12) Å, intra-ligand N-Ni-N angles range from 84.59 (5) to 86.06 (5)°, and adjacent inter-ligand N-Ni-N angles range between 93.94 (5) and 95.41 (5)°. In the crystal, inversion-related pyrazole rings are ...[more]

PMID: 24098167

Similar Datasets

Bis[1-meth-oxy-2,2,2-tris-(pyrazol-1-yl-?N (2))ethane]-nickel(II) bis-(tri-fluoro-methane-sulfonate) methanol disolvate.

Project description:In the title salt, [Ni(C12H14N6O)2](CF3SO3)2·2CH3OH, the Ni(II) ion is coordinated by six N atoms from two tridentate 1-meth-oxy-2,2,2-tris-(pyrazol-1-yl)ethane ligands in a distorted octa-hedral geometry. The Ni(II) ion is situated on an inversion centre. The Ni-N distances range from 2.0589?(19) to 2.0757?(19)?Å, intra-ligand N-Ni-N angles range from 84.50?(8) to 85.15?(8)°, and adjacent inter-ligand N-Ni-N angles range between 94.85?(8) and 95.50?(8)°. In the crystal, O-H?O hydrogen bonds between methanol solvent mol-ecules and tri-fluoro-methane-sulfonate anions are observed.

| S-EPMC3790348 | biostudies-other

Bis[tris-(ethane-1,2-diamine)nickel(II)] octa-cyanidomolybdate(IV) dihydrate.

Project description:The title complex, [Ni(II)(C(2)H(8)N(2))(3)](2)[Mo(IV)(CN)(8)]·2H(2)O, crystallized from a mixture of ethane-1,2-diamine (en), octa-cyano-molybdate(IV), [Mo(CN)(8)](4-), and the transition metal ion Ni(2+). In the crystal structure, the Mo polyhedron has a square-anti-prismatic shape, while the geometry around the Ni atom is distorted octa-hedral. The complex ions and water mol-ecules are linked by hydrogen bonds.

| S-EPMC2960526 | biostudies-literature

Bis[tris-(1H-pyrazol-1-yl-?N)methane]-nickel(II) bis-{[tris-(1H-pyrazol-1-yl-?N)methane]-tris-(thio-cyanato-?N)nickelate(II)} methanol disolvate.

Project description:Attempts to prepare the mononuclear [(tpm)Ni(II)L(3)](-1) [tpm = tris-(1H-pyrazol-1-yl)methane and L = thio-cyanate] anion yielded the methanol-solvated salt, [(tpm)(2)Ni(II)][(tpm)Ni(II)(NCS)(3)](2)·2CH(3)OH or [Ni(C(10)H(10)N(6))(2)][Ni(NCS)(3)(C(10)H(10)N(6))](2)·2CH(3)OH. The asymmetric unit consists of half a centrosymmetric bis-[tris-(1H-pyrazol-1-yl)methane]-nickel(II) cation and an octa-hedral nickelate(II) anion bound to one tpm and three L ligands, and a methanol solvent mol-ecule. One of the L ligands is disordered over two positions with occupancy factors of 0.650?(3) and 0.350?(3). There are O-H?S inter-actions between the methanol and the disordered thio-cyanate anion, and a weak C-H?O hydrogen bond between the cation and the methanol O atom.

| S-EPMC3238592 | biostudies-literature

Crystal structure of 1-meth-oxy-2,2,2-tris-(pyrazol-1-yl)ethane.

Project description:The title compound, C12H14N6O, consists of three pyrazole rings bound via nitro-gen to the distal ethane carbon of meth-oxy ethane. The dihedral angles between the three pyrazole rings are 67.62 (14), 73.74 (14), and 78.92 (12)°. In the crystal, mol-ecules are linked by bifurcated C-H,H⋯N hydrogen bonds, forming double-stranded chains along [001]. The chains are linked via C-H⋯O hydrogen bonds, forming a three-dimensional framework structure. The crystal was refined as a perfect (0.5:0.5) inversion twin.

| S-EPMC4186097 | biostudies-literature

Bis[tris-(3,5-dimethyl-1H-pyrazol-1-yl-?N(2))meth-yl]sodium trifluoro-methane-sulfonate.

Project description:In the title salt, [Na(C(16)H(22)N(6))(2)]CF(3)SO(3), the Na(+) cation is coordinated by six N atoms from two tridentate tris-(3,5-dimethyl-pyrazol-1-yl)methane ligands in a distorted octa-hedral geometry. The Na-N distances range from 2.427?(3) to 2.507?(3)?Å, intra-ligand N-Na-N angles range from 74.71?(8) to 79.31?(9)°, and adjacent inter-ligand N-Na-N angles range between 100.42?(9) and 104.97?(9)°. The structure is twinned by inversion [occupancy factors = 0.50?(9)] and the trifluoro-methane-sulfonate anion is disordered, with two end-over-end orientations of unequal occupancy [0.781?(3) and 0.219?(3)].

| S-EPMC3393224 | biostudies-literature

Tris[tris-(ethane-1,2-diamine)cobalt(II)] bis-[octa-cyanidomolybdate(V)] dihydrate.

Project description:In the title compound, [Co(II)(C(2)H(8)N(2))(3)](3)[Mo(V)(CN)(8)](2)·2H(2)O, N-H?N and N-H?O hydrogen-bonding inter-actions give rise to a three-dimensional network. In the crystal structure, each Mo polyhedron has a square-anti-prismatic shape, while the Co complexes show distorted octa-hedral geometry with an occupancy of 50%. One of the Co atoms resides on a crystallographic inversion centre.

| S-EPMC2960682 | biostudies-literature

Crystal structure at 100 K of bis-[1,2-bis-(di-phenyl-phosphan-yl)ethane]-nickel(II) bis-(tri-fluoro-methane-sulfonate): a possible negative thermal expansion mol-ecular material.

Project description:In the title salt, [Ni(C26H24P2)2](CF3SO3)2 or [Ni(dppe)2]2+·(OTf-)2 [dppe = 1,2-bis-(di-phenyl-phosphan-yl)ethane and OTf- = tri-fluoro-methane-sulfonate], the Ni atom (site symmetry ) has a square-planar geometry with the bidentate ligands chelating the metal. As a result of the steric hindrance of the phenyl rings, the counter-ions are blocked from the metal coordination sphere. The dynamic disorder of the anion existing at 296 K is reduced at 100 K and based on these two temperatures, negative thermal expansion behaviour is observed.

| S-EPMC6218916 | biostudies-literature

2,2,2-Tris(pyrazol-1-yl)ethanol.

Project description:The title compound TPE, C(11)H(12)N(6)O, was prepared by slow evaporation from diethyl ether. In the crystal, there is a hydrogen bond between the alcohol H atom and an N in the pyrazole ring of a neighboring mol-ecule.

| S-EPMC3089311 | biostudies-literature

Bis(thio-semicarbazide)nickel(II) bis-[2-(thio-semicarbazonometh-yl)benzene-sulfonate] dihydrate.

Project description:In the title compound, [Ni(CH(5)N(3)S)(2)](C(8)H(8)N(3)O(3)S(2))(2)·2H(2)O, the Ni(II) atom lies on a inversion centre and is four-coordinated by two N and two S atoms of two thio-semicarbazide ligands in an almost square-planar coordination. In the crystal structure, the molecules are linked into a three-dimensional network via C-H?O, C-H?N, N-H?O, N-H?S and O-H?O hydrogen bonds.

| S-EPMC2969405 | biostudies-literature

4,4'-Oxybis(2,6-di-methyl-pyridinium) bis-(tri-fluoro-methane-sulfonate).

Project description:In the asymmetric unit of the title salt, C14H18N2O(2+)·2CF3O3S(-), the components are linked by two N-H?O and one C-H?O hydrogen bonds. The dipyridinium salt demonstrates a skew conformation based upon C-O-C-C torsion angles of 61.5?(3) and 15.1?(4)°. A C-O-C angle of 119.3?(2)° and C-O bond distances of 1.364?(3) and 1.389?(3)?Å are consistent with other dipyridyl ethers. The planes of the pyridyl rings exhibit a twist angle of 67.89?(8)°. One of the tri-fluoro-methane-sulfonate ions shows disorder of the F atoms [in a 0.52?(7):0.48?(7) occupancy ratio] and an O atom [0.64?(8):0.36?(8) occupancy ratio]. In the crystal, the components are linked by C-H?O inter-actions, which form chains along [101].

| S-EPMC3884303 | 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