Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Redetermination of aqua-(dihydrogen ethyl-enediamine-tetra-acetato-?O,O',N,N',O'')nickel(II).

ABSTRACT: The crystal structure of the title compound, [Ni(C(10)H(14)N(2)O(8))(H(2)O)] or [Ni(H(2)edta)(H(2)O)] (H(4)edta is ethyl-ene-diamine-tetra-acetic acid), originally determined by Smith & Hoard [J. Am. Chem. Soc. (1959), 81, 556-561] has been redetermined to a significantly higher precision. The Ni(II) atom is coordinated in a distorted octa-hedral geometry by two N atoms and three O atoms from three carboxyl-ate groups of the H(2)edta(2-) ligand and by an O atom of a water mol-ecule. The complex mol-ecules are linked by inter-molecular O-H?O hydrogen bonds into layers perpendicular to [100].

SUBMITTER: Kocanova I

PROVIDER: S-EPMC2979777 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Redetermination of aqua-(dihydrogen ethyl-enediamine-tetra-acetato-κO,O',N,N',O'')nickel(II).

Kočanová Ivana I Kuchár Juraj J Dankovičová Vladimíra V Cernák Juraj J

Acta crystallographica. Section E, Structure reports online 20100123 Pt 2

The crystal structure of the title compound, [Ni(C(10)H(14)N(2)O(8))(H(2)O)] or [Ni(H(2)edta)(H(2)O)] (H(4)edta is ethyl-ene-diamine-tetra-acetic acid), originally determined by Smith & Hoard [J. Am. Chem. Soc. (1959), 81, 556-561] has been redetermined to a significantly higher precision. The Ni(II) atom is coordinated in a distorted octa-hedral geometry by two N atoms and three O atoms from three carboxyl-ate groups of the H(2)edta(2-) ligand and by an O atom of a water mol-ecule. The complex ...[more]

PMID: 21579661

Similar Datasets

Diammonium aqua-(ethyl-ene-diamine-tetra-acetato)iron(II) trihydrate.

Project description:In the title compound, (NH(4))(2)[Fe(C(10)H(12)N(2)O(8))(H(2)O)]·3H(2)O, the Fe(II) center is in a distorted penta-gonal-bipyramidal geometry. Two carboxyl-ate O and two N atoms from the ethyl-enediaminetetra-acetate (EDTA) ion and one O atom from coordinated water comprise the equatorial plane. Two other carboxyl-ate O atoms from the EDTA ion occupy the apical sites. Both ammonium cations and all water mol-ecules function as hydrogen-bond donors, and ten N-H⋯O and nine O-H⋯O hydrogen bonds form a three-dimensional network between the complex anions, cations and the water mol-ecules.

| S-EPMC2967920 | biostudies-literature

Tetra-aqua-bis[2-(2,4-dichloro-phen-oxy)acetato]nickel(II).

Project description:In the title complex, [Ni(C(8)H(5)Cl(2)O(3))(2)(H(2)O)(4)], the Ni(II) atom (site symmetry ) adopts a slightly distorted NiO(6) octa-hedral coordination. An intra-molecular O-H⋯O hydrogen bond helps to establish the conformation. In the crystal, further O-H⋯O hydrogen bonds link the mol-ecules.

| S-EPMC2969976 | biostudies-literature

Tetra-aqua-bis-[2-(4-pyridyl-sulfan-yl)acetato-?N]nickel(II).

Project description:In the centrosymmetric title complex, [Ni(C(7)H(6)NO(2)S)(2)(H(2)O)(4)], the Ni(II) atom, located on a centre of inversion, is coordinated by two N atoms from two 2-(4-pyridyl-sulfan-yl)acetate ligands and four water O atoms in an octa-hedral geometry. In the crystal, inter-molecular O-H?O hydrogen bonds between the coordinated water mol-ecules and the carboxyl-ate group of the anionic 2-(4-pyridyl-sulfan-yl)acetate ligands link these discrete mononuclear units into a three-dimensional network.

| S-EPMC3120356 | biostudies-literature

trans-Tetra-aqua-bis-[2-(4-chloro-phen-oxy)acetato-?O (1)]nickel(II).

Project description:In the title compound, [Ni(C8H6ClO3)2(H2O)4], the Ni(II) ion is located on a crystallographic inversion centre and is octa-hedrally coordinated by two 2-(4-chloro-phen-oxy)acetate ligands in axial positions and by four water mol-ecules in the equatorial plane. The acetate ligands are bound to the Ni(II) ion in a monodentate manner through a carboxyl-ate O atom. In the crystal, O-H?O hydrogen bonds link the mol-ecules, forming a two-dimensional supra-molecular network lying parallel to the ab plane.

| S-EPMC3588726 | biostudies-literature

Tetra-pyridine-bis(trichloro-acetato)nickel(II).

Project description:The title compound, [Ni(C(2)Cl(3)O(2))(2)(C(5)H(5)N)(4)], was prepared by the reaction of pyridine and trichloro-acetatonickel(II) in ethanol solution at room temperature. The Ni(II) atom is located on a twofold rotation axis and has a slightly distorted octa-hedral coordination made up of four N atoms of the pyridine ligands and two O atoms of trichloro-acetate anions. The mol-ecular structure and packing are stabilized by intra- and inter-molecular C-H?O hydrogen-bonding inter-actions.

| S-EPMC2970073 | biostudies-literature

Tris(ethyl-enediamine-?N,N')nickel(II) naphthalene-2,7-disulfonate.

Project description:The Ni(II) atom in the title salt, [Ni(C(2)H(8)N(2))(3)](C(10)H(6)O(6)S(2)), is chelated by three ethyl-enediamine ligands in an octa-hedral geometry. The cation and anion are linked by N-H?O hydrogen bonds into a three-dimensional network. One of the two -SO(3) groups is disordered over two positions in a 1:1 ratio.

| S-EPMC3238720 | biostudies-literature

Tris(ethyl-enediamine-?(2)N,N')nickel(II) bis-(dimethyl phosphate).

Project description:In the title compound, [Ni(C(2)H(8)N(2))(3)][O(2)P(OCH(3))(2)](2), the Ni(II) atom is six-coordinated in a distorted octa-hedral geometry by six N atoms from three ethyl-enediamine ligands. The P atoms of the anions adopt a distorted tetra-hedral geometry. In the crystal, inter-molecular N-H?O and C-H?O hydrogen bonds link the cations and anions into a three-dimensional network.

| S-EPMC3414105 | 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

(μ-2,2',2'',2'''-{[Pyrazine-2,3,5,6-tetra-yltetra-kis(methyl-ene)]tetra-kis(sulfanedi-yl)}tetra-acetato)bis-[aqua-nickel(II)] hepta-hydrate.

Project description:Reaction of the ligand 2,2',2'',2'''-{[pyrazine-2,3,5,6-tetra-yltetra-kis-(methyl-ene)]tetra-kis-(sulfanedi-yl)}tetra-acetic acid (H4L1), with NiCl2 leads to the formation of a binuclear complex, (μ-2,2',2'',2'''-{[pyrazine-2,3,5,6-tetra-yltetra-kis-(methyl-ene)]tetra-kis-(sulfanedi-yl)}tetra-acetato-κ5 O,S,N 1,S',O':κ5 O'',S'',N 4,S''',O''')bis[aqua-nickel(II)] hepta-hydrate, {[Ni2(C16H16N2O8S4)(H2O)2]·7H2O} (I). It crystallizes with two half mol-ecules in the asymmetric unit. The complete mol-ecules are generated by inversion symmetry, with the center of the pyrazine rings being located at crystallographic centres of inversion. The ligand coordinates two NiII ions in a bis-penta-dentate manner and the sixfold coordination sphere of each nickel(II) atom (NiS2O3N) is completed by a water mol-ecule. The complex crystallized as a hepta-hydrate. The binuclear complexes are linked by Owater-H⋯Ocarbon-yl hydrogen bonds, forming layers parallel to the (101) plane. This layered structure is additionally stabilized by weak C-H⋯O hydrogen bonds. Further O-H⋯O hydrogen bonds involving binuclear complexes and solvent water mol-ecules, together with weak C-H⋯S hydrogen bonds, link the layers to form a supra-molecular framework.

| S-EPMC9462308 | biostudies-literature

Crystal structure of di-aqua-(μ2-tri-ethyl-ene-tetra-minehexa-acetato)-dizinc tetra-hydrate.

Project description:The reaction of ZnO and tri-ethyl-ene-tetra-minehexaacetic acid (H6TTHA) in aqueous solution after refluxing yields the binuclear title compound, [Zn2(C18H26N4O12)(H2O)2]·4H2O. There is a centre of symmetry in the [Zn2(H2TTHA)(H2O)2] mol-ecule in the crystalline state. Both Zn(II) ions are octahedrally surrounded and bound by an N2O3 donor set from the H2TTHA(4-) anion and a water mol-ecule; the N atoms are cis and the water mol-ecule is trans to an N atom. The Zn⋯Zn separation is 7.562 (1) Å. An intra-molecular C-H⋯O inter-action is observed and both carboxyl-ate H atoms are disordered over two adjacent sites. In the crystal, the components are linked by O-H⋯O and C-H⋯O hydrogen bonds generating a three-dimensonal network.

| S-EPMC4350722 | 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