Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Diaqua-bis-{4-[(pyridin-2-yl)methyl-idene-amino]-benzene-sulfonato-?(2)N,N'}nickel(II) tetra-hydrate.

ABSTRACT: In the title complex, [Ni(C(12)H(9)N(2)O(3)S)(2)(H(2)O)(2)]·4H(2)O, the Ni(II) ion is coordinated by four N atoms from two bidentate chelating 4-[(pyridin-2-yl)methyl-idene-amino]-benzene-sulfonate ligands and two O atoms from cis-related water mol-ecules in a slightly distorted octa-hedral environment [Ni-N = 2.071?(3)-2.121?(3)?Å and Ni-O = 2.071?(2) and 2.073?(3)?Å]. In the crystal, the coordinated water mol-ecules and the four water mol-ecules of solvation are involved in inter-molecular O-H?O hydrogen-bonding inter-actions with water and sulfon-ate O-atom acceptors, giving a three-dimensional framework structure.

SUBMITTER: Li CZ

PROVIDER: S-EPMC3379134 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Diaqua-bis-{4-[(pyridin-2-yl)methyl-idene-amino]-benzene-sulfonato-κ(2)N,N'}nickel(II) tetra-hydrate.

Li Chao-Zhu CZ Huang Xue-Ren XR

Acta crystallographica. Section E, Structure reports online 20120526 Pt 6

In the title complex, [Ni(C(12)H(9)N(2)O(3)S)(2)(H(2)O)(2)]·4H(2)O, the Ni(II) ion is coordinated by four N atoms from two bidentate chelating 4-[(pyridin-2-yl)methyl-idene-amino]-benzene-sulfonate ligands and two O atoms from cis-related water mol-ecules in a slightly distorted octa-hedral environment [Ni-N = 2.071 (3)-2.121 (3) Å and Ni-O = 2.071 (2) and 2.073 (3) Å]. In the crystal, the coordinated water mol-ecules and the four water mol-ecules of solvation are involved in inter-molecular O-H ...[more]

PMID: 22719355

Similar Datasets

Tetra-aqua-bis-[N,N'-bis-(pyridin-3-yl-methyl-idene)benzene-1,4-diamine]-zinc dinitrate 1.49-hydrate.

Project description:In the title compound, [Zn(C(18)H(14)N(4))(2)(H(2)O)(4)](NO(3))(2)·1.49H(2)O, the Zn(II) atom, lying on an inversion center, is coordinated by two N atoms from two N,N'-bis-(pyridin-3-yl-methyl-idene)benzene-1,4-diamine ligands and four water mol-ecules in a distorted octa-hedral geometry. The nitrate anion is disordered over two sets of sites, with an occupancy ratio of 0.744?(4):0.256?(4). The uncoordinated water mol-ecule is also disordered with an occupancy factor of 0.744?(4). O-H?O and O-H?N hydrogen bonds link the complex cations, nitrate anions and uncoordinated water mol-ecules into a supra-molecular layer parallel to (102).

| S-EPMC3238659 | biostudies-literature

Tetra-aqua-{5-[(pyridin-2-yl-methyl-idene)amino]benzene-1,3-dicarboxyl-ato-κ(2)N,N'}nickel(II) tetra-hydrate.

Project description:The title structure, [Ni(C(14)H(8)N(2)O(4))(H(2)O)(4)]·4H(2)O, contains a mononuclear Ni(II) complex formed by a chelating bidentate Schiff base and by four Ni-bonded water mol-ecules. The Ni(II) atom is in a distorted octa-hedral coordination by two N atoms in a cis disposition [Ni-N = 2.0753 (16) and 2.1048 (16) Å] and by four water O atoms [Ni-O = 2.0500 (15)-2.0822 (15) Å]. The crystal structure is completed by four further non-coordinating water mol-ecules and all constituents are linked in a three-dimensional manner by an extensive system of 16 O-H⋯O hydrogen bonds.

| S-EPMC3393215 | biostudies-literature

Bis(4-amino-benzene-sulfonato-?N)diaqua-bis(dimethyl-formamide-?O)nickel(II) dihydrate.

Project description:In the title compound, [Ni(C(6)H(6)NO(3)S)(2)(C(3)H(7)NO)(2)(H(2)O)(2)]·2H(2)O, the Ni(II) ion (site symmetry ) is coordinated by two -NH(2) groups from two 4-amino-benzene-sulfonate anions, two O atoms from two dimethyl-formamide mol-ecules and two water mol-ecules, forming a slightly distorted trans-NiN(2)O(4) octa-hedral geometry. In the crystal structure, inter-molecular O-H?O, O-H?(O,O) and N-H?O hydrogen bonds link the components into a three-dimensional network. The O atoms of the sulfonate group are disordered over two sets of sites in a 0.833?(4):0.167?(4) ratio and the O atom of the uncoordinated water mol-ecule is disordered over two sites in a 0.637?(18):0.363?(18) ratio.

| S-EPMC2969510 | biostudies-literature

Bis(2-{[bis-(dimethyl-amino)-methyl-idene]amino-?N}benzene-sulfonato-?N)copper(II).

Project description:The mol-ecular structure of the title compound, [Cu(C11H16N3O3S)2], shows the Cu(II) atom with a distorted square-planar coordination geometry from the N2O2 donor set of the two chelating 2-{[bis-(dimethyl-amino)-methyl-idene]amino}-benzene-sulfonate ligands. The Cu(II) atom lies 0.065?(1)?Å above the N2O2 plane and the Cu-O [2 × 1.945?(2)?Å] and Cu-N bond lengths [1.968?(3) and 1.962?(3)?Å] lie in expected ranges. The two aromatic ring planes make a dihedral angle of 85.48?(1)°.

| S-EPMC3588740 | biostudies-literature

Tetra-aqua-bis[2-(thio-semi-carbazono-methyl)benzene-sulfonato]manganese(II).

Project description:In the title compound, [Mn(C(8)H(8)N(3)O(3)S(2))(2)(H(2)O)(4)], the Mn(II) atom (site symmetry ) adopts a slightly distorted octa-hedral MnO(6) geometry. The mol-ecular conformation is supported by N-H?N and O-H?O hydrogen bonds. In the crystal, mol-ecules inter-act by O-H?O, O-H?S, N-H?O and N-H?S hydrogen bonds, thereby forming (011) sheets.

| S-EPMC2971282 | biostudies-literature

trans-Diaqua-bis-[2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole]nickel(II) bis-(tetra-fluoridoborate).

Project description:The bidentate 1,3,4-thia-diazole ligand, namely, 2,5-bis-(2-pyrid-yl)-1,3,4-thia-diazole (denoted L), untested as a polydentate ligand, has been found to form the monomeric title complex, [Ni(C(12)H(8)N(4)S)(2)(H(2)O)(2)](BF(4))(2). The complex shows an octa-hedral environment of the nickel cation in which the Ni(2+) ion is located on a center of symmetry, linked to two ligands and two water molecules. In this 1:2 complex (one metal for two organic ligands) each thia-diazole ligand uses one pyridyl and one thia-diazole N atom for chelate binding. In the second pyridyl substituent, the N atom is oriented towards the same direction as the S atom of the 1,3,4-thiadiazole ring. The mean plane of the thia-diazole and pyridyl rings linked to the nickel cation forms a dihedral angle with the other pyridine ring of 18.63?(8)°. The tetra-fluorido-borate ions can be regarded as free anions in the crystal lattice. Nevertheless, they are involved in an infinite two-dimensional network parallel to ([Formula: see text]01) through O-H?F hydrogen bonds.

| S-EPMC3212138 | biostudies-literature

Pyridinium diaqua-bis-(methyl-enediphospho-nato-?O,O')chromate(III) tetra-hydrate.

Project description:In the title complex, (C(5)H(6)N)[Cr(CH(4)O(6)P(2))(2)(H(2)O)(2)]·4H(2)O, the Cr(III) atom, lying on an inversion centre, is coordinated by two bidentate methyl-ene diphospho-nate ligands and two water molecules in a distorted octa-hedral coordination geometry. The pyridinium cation is located on an inversion centre, with an N atom and a C atom sharing a position each at a half occupancy. A three-dimensional network is constructed by O-H?O, N-H?O and C-H?O hydrogen bonds between the pyridin-ium cation, complex anion and uncoordinated water mol-ecules.

| S-EPMC3007482 | biostudies-literature

?-Benzene-1,2,4,5-tetra-carboxyl-ato-?O,O:O,O-bis-[diaqua(phen-an-thro-line-?N,N')nickel(II)] 0.67-hydrate.

Project description:The asymmetric unit of the title compound, [Ni(2)(C(10)H(2)O(8))(C(12)H(8)N(2))(2)(H(2)O)(4)]·0.67H(2)O, contains one complete binuclear complex and one half-mol-ecule, the latter being completed by crystallographic inversion symmetry, and 0.67 of a solvent water molecule. Each Ni(2+) cation is coordinated by a 1,10-phenanthroline ligand, a bidentate benzene-1,2,4,5-tetra-carboxyl-ate (btec) tetra-anion and two water mol-ecules to generate a distorted cis-NiN(2)O(4) octa-hedral coordination geometry. The btec species bridges the metal ions. In the crystal, the clusters and uncoordinated water mol-ecules are linked by O-H?O hydrogen bonds and ?-? inter-actions [shortest centroid-centroid separation = 3.596?(2)?Å] to form a three-dimensional network.

| S-EPMC3297230 | biostudies-literature

1,4-Bis(5-methyl-1H-1,2,4-triazol-3-yl)benzene tetra-hydrate.

Project description:In the title compound, C(12)H(12)N(6)·4H(2)O, the two triazole rings adopt a cis configuration with a crystallographic twofold axis passing through the central benzene group. The benzene and triazole rings are almost coplanar with a dihedral angle of 5.5?(1)°. In the crystal, water mol-ecules are joined together by OW-H?OW hydrogen bonds to form a one-dimensional zigzag chain. These water chains are further connected to the organic mol-ecule, forming a three-dimensional network by inter-molecular OW-H?N and N-H?OW hydrogen bonds. Moreover, ?-? stacking inter-actions between triazole rings [centroid-centroid distances = 3.667?(1)-3.731?(1)?Å] are observed. One of the water mol-ecules shows one of the H atoms to be disordered over two positions.

| S-EPMC3089122 | biostudies-literature

Diaqua-(1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) fumarate tetra-hydrate.

Project description:The asymmetric unit of the title complex salt, [Ni(C(10)H(24)N(4))(H(2)O)(2)](C(4)H(2)O(4))·4H(2)O, comprises half of a nickel(II) complex dication, half of a fumarate dianion and two water mol-ecules. Both the Ni(II) cation and fumarate anion lie on a crystallographic inversion center. The Ni(II) ion in the cyclam complex is six-coordinated within a distorted N(4)O(2) octa-hedral geometry, with the four cyclam N atoms in the equatorial plane and the two water mol-ecules in apical positions. The six-membered metalla ring adopts a chair conformation, whereas the five-membered ring exists in a twisted form. In the crystal packing, inter-molecular O-H⋯O hydrogen bonds between the water molecules and the carboxyl groups of the fumarate anions lead to the formation of layers with R(4) (2)(8) ring motifs. Ni(II) complex cations are sandwiched between two such layers, being held in place by O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, consolidating a three-dimensional network.

| S-EPMC3007087 | 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