Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Aqua-dipyridine-bis-(N-p-tolysulfonyl-l-leucinato)nickel(II).

ABSTRACT: In each of the two mol-ecules in the asymmetric unit of the title compound, [Ni(C(13)H(18)NO(4)S)(2)(C(5)H(5)N)(2)(H(2)O)], the geometry of the Ni(2+) ion is an extremely distorted trans-NiN(2)O(4) octa-hedron, arising from its coordination by one water mol-ecule, two pyridine mol-ecules, and one O-monodentate and one O,O'-bidentate deprotonated N-p-tolysulfonyl-l-leucine ligand. In the crystal, mol-ecules are linked by N-H?O and O-H?O hydrogen bonds, forming chains along the c axis. An intra-molecular O-H?O hydrogen bond occurs in one of the mol-ecules.

SUBMITTER: Tai XS

PROVIDER: S-EPMC3009243 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Aqua-dipyridine-bis-(N-p-tolysulfonyl-l-leucinato)nickel(II).

Tai Xi-Shi XS

Acta crystallographica. Section E, Structure reports online 20101002 Pt 11

In each of the two mol-ecules in the asymmetric unit of the title compound, [Ni(C(13)H(18)NO(4)S)(2)(C(5)H(5)N)(2)(H(2)O)], the geometry of the Ni(2+) ion is an extremely distorted trans-NiN(2)O(4) octa-hedron, arising from its coordination by one water mol-ecule, two pyridine mol-ecules, and one O-monodentate and one O,O'-bidentate deprotonated N-p-tolysulfonyl-l-leucine ligand. In the crystal, mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds, forming chains along the c axis. An intra-mo ...[more]

PMID: 21588793

Similar Datasets

Tetra-aqua-bis(N-phenyl-sulfonyl-l-leucinato)cadmium(II) dihydrate.

Project description:In the title compound, [Cd(C(12)H(16)NO(4)S)(2)(H(2)O)]·2H(2)O, the Cd atom is located on a twofold rotation axis and a distorted CdO(8) dodeca-hedral arrangement arises from the coordination of the two chelating ligands and four water mol-ecules. A network of N-H?O, O-H?O and C-H?O hydrogen bonds help to establish the crystal packing. Both coordinated and uncoordinated water molecules are disordered with an approximate half-occupation for each of the water molecules.

| S-EPMC2968151 | biostudies-literature

Crystal structure of poly[[trans-di-aqua-bis-[μ2-trans-4,4'-(diazenedi-yl)dipyridine]-nickel(II)] diiodide ethanol disolvate].

Project description:In the title compound, {[Ni(C10H8N4)2(H2O)2]I2·2C2H5OH} n , the complex shows an octa-hedral environment of the Ni(2+) cation in which it is located on a centre of symmetry, linked to two water mol-ecules and the pyridine-N atoms of four 4,4'-(diazenediyl)dipyridine ligands bridging Ni(2+) cations along the b- and c-axis directions, giving rise to a two-dimensional arrangement. The Ni-N bond lengths are in the range 2.109 (4)-2.186 (3) Å and the Ni-O bond length is 2.080 (3) Å. The 4,4'-(diazenedi-yl)dipyridine ligand lies on an inversion centre. An O-H⋯O hydrogen-bond inter-action is observed between water and ethanol mol-ecules. The I(-) ions can be regarded as free anions in the crystal lattice.

| S-EPMC4186204 | biostudies-literature

Bis(?-2,2'-disulfanediyldibenzoato)bis-[aqua-(2,2'-bipyridine)-nickel(II)].

Project description:In the centrosymmetric title complex, [Ni(2)(C(14)H(8)O(4)S(2))(2)(C(10)H(8)N(2))(2)(H(2)O)(2)], the Ni(II) atom is coordinated by two N atoms from one 2,2'-bipyridine ligand, three carboxyl-ate O atoms (one bidentate and one monodentate) from two different disulfanediyldibenzoate ligands and one O atom from a coordinated water mol-ecule in an octa-hedral coordination geometry. The disulfanediyldibenzo-ate dianion bridges two Ni(II )atoms. Adjacent mol-ecules are linked through the coordinated water mol-ecules, forming a O-H?O hydrogen-bonded chain running along the a axis.

| S-EPMC3011661 | biostudies-literature

Tetra-aqua-bis-(pyridine-κN)nickel(II) dinitrate.

Project description:In the title compound, [Ni(C(5)H(5)N)(2)(H(2)O)(4)](NO(3))(2), the Ni(II) ion is coordinated by two N-bonded pyridine ligands and four water mol-ecules in an octa-hedral coordination mode. The asymmetric unit consists of one Ni(II) ion located on an inversion center, as well as one pyridine ligand, one nitrate anion and two water mol-ecules in general positions. In the crystal structure, the discrete complex cations and nitrate anions are connected by O-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC3006910 | biostudies-literature

Aqua-bis(o-vanillinato-κO,O')nickel(II).

Project description:The Ni(II) atom in the title complex, aqua-bis(2-formyl-6-meth-oxy-phenolato-κ(2)O,O')nickel(II), [Ni(C(8)H(7)O(3))(2)(H(2)O)], is five-coordinated by four O atoms from two o-vanillinate ligands and one water mol-ecule in a slightly distorted square-pyramidal geometry (τ = 0.06). In the crystal structure, the mol-ecules are linked into dimers by inter-molecular O-H⋯O hydrogen bonds.

| S-EPMC2960227 | biostudies-literature

Tetra-aqua-bis(nicotinamide-κN)nickel(II) bis-(2-fluoro-benzoate).

Project description:The asymmetric unit of the title complex, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(7)H(4)FO(2))(2), contains one-half of the complex cation with the Ni(II) atom located on an inversion center, and a 2-fluoro-benzoate (FB) counter-anion. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement with an average Ni-O bond length of 2.079 Å, and the slightly distorted octa-hedral coordination is completed by the two N atoms of the nicotinamide (NA) ligands in the axial positions. The dihedral angle between the carboxyl group and the attached benzene ring is 28.28 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 8.31 (4)°. In the crystal structure, O-H⋯O, N-H⋯O, C-H⋯O, and C-H⋯F hydrogen bonds link the mol-ecules into a three-dimensional network. π-π Contacts between the pyridine and benzene rings [centroid-centroid distance = 3.626 (1) Å] may further stabilize the crystal structure. The 2-fluoro-benzoate anion is disordered over two orientations, with an occupancy ratio of 0.85:0.15.

| S-EPMC2970982 | biostudies-literature

Dipotassium hexa-aqua-nickel(II) bis-[hexa-fluoridozirconate(IV)].

Project description:Single crystals of the title compound, K(2)[Ni(H(2)O)(6)][ZrF(6)](2), were grown by slow evaporation of a 40% aqueous HF solution in which a stoichiometric mixture of NiCl(2)·6H(2)O, ZrF(4) and KCl was dissolved. The monoclinic structure is isotypic with its K(2)Cu, K(2)Zn, Cs(2)Zn and Cs(2)Cu analogues. The structure is built up from isolated, slightly elongated octa-hedral [Ni(H(2)O)(6)](2+) complex cations (symmetry ) and dimeric [Zr(2)F(12)](4-) complex anions (symmetry ) that are also isolated from each other. The [Zr(2)F(12)](4-) anion results from the association of two distorted penta-gonal-bipyramidal [ZrF(7)] coordination polyhedra by sharing an equatorial edge passing through an inversion center of the unit cell. Both isolated [Ni(H(2)O)(6)](2+) and [Zr(2)F(12)](4-) complex ions are situated in planes parallel to (010). They are connected by the eight-coordinated K(+) ions into a three-dimensional structure. An intricate O-H?F hydrogen-bonding network consolidates the structure.

| S-EPMC3050341 | biostudies-literature

Tetra-aqua-bis(pyridine-3-sulfonato-κN)nickel(II).

Project description:In the mol-ecule of the title compound, [Ni(C(5)H(4)NO(3)S)(2)(H(2)O)(4)], the Ni(II) cation is located on an inversion center and is coordinated by four water mol-ecules and two pyridine-3-sulfonate anions with an NiN(2)O(4) distorted octa-hedral geometry. The face-to-face separation of 3.561 (5) Å between parallel pyridine rings indicates the existence of weak π-π stacking between the pyridine rings. The structure also contains inter-molecular O-H⋯O hydrogen bonding and weak C-H⋯O hydrogen bonding.

| S-EPMC2961246 | biostudies-literature

Di-aqua-bis-(nicotinamide-?N (1))bis-(thio-cyanato-?N)nickel(II).

Project description:In the title complex, [Ni(NCS)2(C6H6N2O)2(H2O)2], the Ni(II) ion is located on an inversion center and is coordinated in a distorted octa-hedral environment by two N atoms from two nicotinamide ligands and two water mol-ecules in the equatorial plane, and two N atoms from two thio-cyanate anions in the axial positions, all acting as monodentate ligands. In the crystal, weak N-H?S hydrogen bonds between the amino groups and the thio-cyanate anions form an R 4 (2)(8) motif. The complex mol-ecules are linked by O-H?O, O-H?S, and N-H?S hydrogen bonds into a three-dimensional supra-molecular structure. Weak ?-? inter-actions between the pyridine rings is also found [centroid-centroid distance = 3.8578?(14)?Å].

| S-EPMC4011277 | biostudies-literature

Tetra-aqua-bis(isonicotinamide-κN)nickel(II) bis-(4-formyl-benzoate) dihydrate.

Project description:The asymmetric unit of the title complex, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(8)H(5)O(3))(2)·2H(2)O, contains one-half of the complex cation with the Ni(II) atom located on an inversion center, a 4-formyl-benzoate (FB) counter-anion and an uncoordinated water mol-ecule. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement and the slightly distorted octa-hedral coordination is completed by the two N atoms of the isonicotinamide (INA) ligands at a sligthly longer distance in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 8.14 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 3.46 (6)°. In the crystal structure, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π Contacts between the benzene and pyridine rings [centroid-centroid distance = 3.751 (1) Å] may further stabilize the crystal structure.

| S-EPMC2970033 | 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