Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tetra-aqua-(2,2'-diamino-4,4'-bi-1,3-thia-zole-?N,N)nickel(II) bis-(pyridine-2,6-dicarboxyl-ato-?O,N,O)nickel(II) trihydrate.

ABSTRACT: The crystal structure of the title compound, [Ni(C(6)H(6)N(4)S(2))(H(2)O)(4)][Ni(C(7)H(3)NO(4))(2)]·3H(2)O, consists of Ni(II) complex cations, Ni(II) complex anions and lattice water mol-ecules. The Ni(II) ions in both the complex cation and anion assume a distorted octa-hedral coordination geometry. O-H?O, N-H?O and C-H?S hydrogen bonds occur in the crystal structure.

SUBMITTER: Liu BX

PROVIDER: S-EPMC2968453 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Tetra-aqua-(2,2'-diamino-4,4'-bi-1,3-thia-zole-κN,N)nickel(II) bis-(pyridine-2,6-dicarboxyl-ato-κO,N,O)nickel(II) trihydrate.

Liu Bing-Xin BX Yu Yan-Ping YP Cao Zen Z Zhang Liang-Jun LJ

Acta crystallographica. Section E, Structure reports online 20090218 Pt 3

The crystal structure of the title compound, [Ni(C(6)H(6)N(4)S(2))(H(2)O)(4)][Ni(C(7)H(3)NO(4))(2)]·3H(2)O, consists of Ni(II) complex cations, Ni(II) complex anions and lattice water mol-ecules. The Ni(II) ions in both the complex cation and anion assume a distorted octa-hedral coordination geometry. O-H⋯O, N-H⋯O and C-H⋯S hydrogen bonds occur in the crystal structure. ...[more]

PMID: 21582064

Similar Datasets

Aqua-(2,2'-diamino-4,4'-bi-1,3-thia-zole-?N,N)(pyridine-2,6-dicarboxyl-ato-?O,N,O)zinc tetra-hydrate.

Project description:The title compound, [Zn(C(7)H(3)NO(4))(C(6)H(6)N(4)S(2))(H(2)O)]·4H(2)O, assumes a distorted octa-hedral coordination geometry around the Zn(2+) cation, formed by a diamino-bithia-zole (DABT) mol-ecule, a pyridine-2,6-dicarboxyl-ate anion and a water mol-ecule. The pyridine-2,6-dicarboxyl-ate anion chelates to the Zn(II) atom with a facial configuration. Within the chelating DABT ligand, the two thia-zole rings are twisted by a dihedral angle of 14.52?(8)° with respect to each other. O-H?O and N-H?O hydrogen bonds occur in the crystal structure.

| S-EPMC3120585 | biostudies-literature

Aqua-(2,2'-diamino-4,4'-bi-1,3-thia-zole-?N,N)(thio-diacetato-?O,S,O')nickel(II) monohydrate.

Project description:In the title compound, [Ni(C(4)H(4)O(4)S)(C(6)H(6)N(4)S(2))(H(2)O)]·H(2)O, the Ni(II) cation assumes a distorted octa-hedral coordination geometry formed by a diamino-bithia-zole (DABT) ligand, a thio-diacetate (TDA) dianion and a coordinated water mol-ecule. The tridentate TDA chelates to the Ni cation in a facial configuration, and both chelating rings display the envelope conformations. The two thia-zole rings of the DABT ligand are twisted with respect to each other, making a dihedral angle of 9.96?(9)°. Extensive O-H?O, N-H?O and weak C-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC3120560 | biostudies-literature

Hexaaqua-nickel(II) tetra-aqua-bis-(?-pyridine-2,6-dicarboxyl-ato)bis-(pyridine-2,6-dicarboxyl-ato)trinickelate(II) octa-hydrate.

Project description:The title compound, [Ni(H(2)O)(6)][Ni(3)(C(7)H(3)NO(4))(4)(H(2)O)(4)]·8H(2)O, was obtained by the reaction of nickel(II) nitrate hexa-hydrate with pyridine-2,6-dicarb-oxy-lic acid (pydcH(2)) and 1,10-phenanothroline (phen) in an aqueous solution. The latter ligand is not involved in formation of the title complex. There are three different Ni(II) atoms in the asymmetric unit, two of which are located on inversion centers, and thus the [Ni(H(2)O)(6)](2+) cation and the trinuclear {[Ni(pydc)(2)](2)-?-Ni(H(2)O)(4)}(2-) anion are centrosymmetric. All Ni(II) atoms exhibit an octa-hedral coordination geometry. Various inter-actions, including numerous O-H?O and C-H?O hydrogen bonds and C-O?? stacking of the pyridine and carboxyl-ate groups [3.570?(1), 3.758?(1) and 3.609?(1)?Å], are observed in the crystal structure.

| S-EPMC3007465 | biostudies-literature

Bis(?-imino-diacetato)bis-[(2,2'-diamino-4,4'-bi-1,3-thia-zole)lead(II)] tetra-hydrate.

Project description:In the crystal structure of the title compound, [Pb(2)(C(4)H(5)NO(4))(2)(C(6)H(6)N(4)S(2))(2)]·4H(2)O, the dinuclear Pb(II) complex mol-ecule is centrosymmetric. The Pb atom is chelated by a tridentate imino-diacetate anion (IDA) and a diamino-bithia-zole (DABT) ligand, while a carboxyl-ate O atom from an adjacent IDA anion further bridges the Pb atom with a longer Pb-O bond [2.892?(3)?Å]. The lone-pair electrons of the Pb atom occupy an axial site in the ?-penta-gonal-bipyramidal coordination polyhedron. The IDA anion displays a facial configuration: its chelating five-membered rings assume an envelope configuration. Within the DABT ligand, the two thia-zole rings are twisted relative to each other, making a dihedral angle of 9.51?(17)°. Extensive N-H?O, O-H?O and weak C-H?O hydrogen bonding helps to stabilize the crystal structure.

| S-EPMC2983700 | biostudies-literature

Aqua-bis(2-amino-1,3-thia-zole-4-acetato-?O,N)nickel(II).

Project description:In the crystal structure of the title compound, [Ni(C(5)H(5)N(2)O(2)S)(2)(H(2)O)], the Ni(II) cation is located on a twofold rotation axis and chelated by two 2-amino-1,3-thia-zole-4-acetate (ata) anions in the basal coordination plane; a water mol-ecule located on the same twofold rotation axis completes the distorted square-pyramidal coordination geometry. Inter-molecular O-H?O and N-H?O hydrogen bonding, as well as ?-? stacking between parallel thia-zole rings [centroid-centroid distance 3.531?(8)?Å], helps to stabilize the crystal structure.

| S-EPMC2969729 | biostudies-literature

Hydroxonium creatininium bis-(pyridine-2,6-dicarboxyl-ato-?O,N,O)nickel-ate(II) trihydrate.

Project description:The title compound, (C(4)H(8)N(3)O)(H(3)O)[Ni(C(7)H(3)NO(4))(2)]·3H(2)O, exhibits isotypism with its Co(II) analogue. All intramolecular distances and angles are similar for the two structures. This applies also for the intermolecular forces, consisting of O-H?O and N-H?O hydrogen bonds and ?-? interactions [with centroid-centroid distances of 3.428?(2) and 3.579?(2)?Å], that lead to a cohesion of the structure.

| S-EPMC2969276 | biostudies-literature

Tetra-aqua-(2,2'-bipyridine-5,5'-dicarboxyl-ato-?N,N')nickel(II) dihydrate.

Project description:In the title compound, [Ni(C(12)H(6)N(2)O(4))(H(2)O)(4)]·2H(2)O, obtained from a basic solution of 2,2'-bipyridine-5,5'-dicarboxyl-ate and nickel(II) chloride in water, the central Ni(II) cation (site symmetry 2) is coordinated by two N atoms from the 2,2'-bipyridine-5,5'-dicarboxyl-ate ligand and four aqua O atoms. The N-Ni-N angle is 78.64?(8)°. Weak but significant ?-? stacking inter-actions exist between the pyridine rings with a centroid-centroid distance of 3.652?(8)?Å. In addition, four O atoms of the two carboxyl groups form hydrogen bonds with both coordinated and uncoordinated water mol-ecules, forming an infinite three-dimensional network.

| S-EPMC2970486 | biostudies-literature

Aqua-(2,2'-bipyrid-yl)(pyrazine-2,6-dicarboxyl-ato)nickel(II) 1.25-hydrate.

Project description:The asymmetric unit of the title compound, [Ni(C(6)H(2)N(2)O(4))(C(10)H(8)N(2))(H(2)O)]·1.25H(2)O, contains two independent chemically identical Ni(II) complex cations and two and a half solvent water mol-ecules. The Ni(II) ions are in slightly distorted coordination environments. In the crystal structure, inter-molecular O-H?O and weak C-H?O hydrogen bonds link cations and water mol-ecules into a three-dimensional network. One of the three uncoordinated water molecules is half-occupied.

| S-EPMC2959726 | biostudies-literature

?-4,4'-Bipyridine-bis-[aqua-(4-hy-droxy-pyridine-2,6-dicarboxyl-ato)copper(II)].

Project description:The title compound, [Cu(2)(C(7)H(3)NO(5))(2)(C(10)H(8)N(2))(H(2)O)(2)], exhibits a centrosymmetric binuclear molecule. Each completely deprotonated 4-hy-droxy-pyridine-2,6-dicarb-oxy-lic acid mol-ecule assumes a tridentate chelating coordination mode. The square-pyramidal coordination geometry around the Cu(II) ion is completed by the bridging bipyridine ligand and an apical water molecule. Adjacent complexes are connected via O-H?O and C-H?O hydrogen bonds to generate a three-dimensional supra-molecular structure.

| S-EPMC3297272 | biostudies-literature

Tetra-aqua-diazido-cobalt(II) 4,4'-dicarboxyl-ato-1,1'-ethyl-enedi-pyridinium dihydrate.

Project description:In the title compound, [Co(N(3))(2)(H(2)O)(4)]·C(14)H(12)N(2)O(4)·2H(2)O, the metal complex mol-ecule is centrosymmetric, the Co(II) ion being six-coordinated by two azide N atoms and four aqua O atoms with a trans-octa-hedral geometry. The zwitterionic organic mol-ecule is also centrosymmetric. In the crystal, the components are associated into a two-dimensional network through O-H?O hydrogen bonds. Further O-H?O and O-H?N inter-actions give a three-dimensional structure. The free water molecule is disordered over two positions in a 0.787?(5):0.213?(5) ratio.

| S-EPMC2971761 | 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