Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis{μ-2-[(4,6-bis{(2-hydroxy-5-methylphenyl)[(pyridin-2-yl)methyl]amino}-1,3,5-triazin-2-yl)[(pyridin-2-yl-κN)methyl]amino-κN]-4-methyl-phenolato-1:2κO:O}bis-[(nitrato-κO,O')zinc]-acetonitrile-water (2/4/1).

ABSTRACT: The title compound, [Zn(2)(C(42)H(38)N(9)O(3))(2)(NO(3))(2)]·2CH(3)CN·0.5H(2)O, is a bis-phenolate-bridged dinuclear Zn(II) complex. The asymmetric unit comprises half the zinc complex (the full complex is completed by the application of a centre of inversion), one acetonitrile solvent mol-ecule and a quarter of a water mol-ecule (located on a twofold axis with half-occupancy; H atoms were not located for this mol-ecule). Each triazine-based multidentate ligand uses a phenolate group to bridge Zn(II) ions, generating a Zn(2)O(2) core. The Zn(II) ions are five-coordinate, with an additional long Zn-O contact [2.6465 (16) Å], and include a semi-bidentate nitrate ion and a N,N',O-tridentate mode of the ligand in the coordination sphere. Non-coordinating pyridine groups form intra-molecular O-H⋯N hydrogen bonds with phenol groups. As suggested by the short O⋯O donor-acceptor distances between the disordered water molecules and phenol O atoms, these groups also participate in hydrogen bonding.

SUBMITTER: Maheswari PU

PROVIDER: S-EPMC3274916 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Tetra-kis[bis-(pyridin-2-yl)amine-κN (2)](nitrato-κO)silver(I).

Project description:In the title complex, [Ag(NO3)(C10H9N3)4], the nitrate ligand is found to be disordered over two sets of positions, with occupancy factors of 0.473 (5) and 0.527 (5). The Ag(I) ion is located in a square-pyramidal coordination environment formed by four N atoms from four bis-(pyridin-2-yl)amine ligands and one O atom from a nitrate ligand. Weak inter-actions between the Ag(I) ions and the nitrate anions acting in a monodentate mode [Ag⋯O = 2.791 (13) and 2.816 (9) Å for the major component of the nitrate ligand, and 2.865 (8) and 2.837 (8) Å for the minor component] link the complex mol-ecules into a chain along [001]. N-H⋯O hydrogen bonds are observed.

| S-EPMC3998263 | biostudies-literature

Bis[(2-methyl-benz-yl)bis-(pyridin-2-ylmethyl-κN)amine-κN]manganese(II) bis-(perchlorate).

Project description:In the title complex, [Mn(C20H21N3)2](ClO4)2, two tridentate (2-methyl-benz-yl)bis-(pyridin-2-ylmeth-yl)amine (L) ligands form the Mn(II) complex [MnL 2](ClO4)2. The Mn(II) ion lies on a twofold axis and the complex cation is significantly distorted from regular octa-hedral geometry. The packing is stabilized by weak C-H⋯O inter-actions between the cations and anions, which link them into a zigzag ribbon along [101]. The perchlorate anion is disordered and was constrained to be tetra-hedral with two orientations having occupancies of 0.768 (4) and 0.232 (4). The 2-methylbenzyl moiety is also disordered over two sets of sites, with occupancies of 0.508 (15) and 0.492 (15).

| S-EPMC3998448 | biostudies-literature

Bis[(2-amino-phen-yl)methanol-κN,O]bis-(nitrato-κO)zinc(II).

Project description:In the title compound, [Zn(NO(3))(2)(C(7)H(9)NO)(2)], the Zn(II) atom, lying on a twofold rotation axis, is six-coordinated in a distorted octa-hedral geometry by two N atoms and two O atoms from two (2-amino-phen-yl)methanol ligands and two O atoms from two monodentate nitrate anions. Inter-molecular N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds stabilize the crystal structure.

| S-EPMC3007881 | biostudies-literature

Bis[(2-amino-phen-yl)methanol-κN,O]bis-(nitrato-κO)cobalt(II).

Project description:The asymmetric unit of the title compound, [Co(NO(3))(2)(C(7)H(9)NO)(2)], contains one-half of the mol-ecule. The Co(II) atom (site symmetry 2) is six-coordinate in a distorted octahedral configuration bonded by two N and two O atoms from two (2-amino-phen-yl)methanol ligands and two O atoms from the two nitrate anions. Crystal packing is stabilized by inter-molecular N-H⋯O, O-H⋯O and C-H⋯O hydrogen-bonding inter-actions.

| S-EPMC3007975 | biostudies-literature

Bis[?-1-(3,5-di-chloro-pyridin-2-yl)-2-(pyridin-3-yl-methyl-idene)hydrazine]bis-[(nitrato-?O)silver(I)] aceto-nitrile disolvate.

Project description:In the centrosymmetric binuclear title complex, [Ag2(NO3)2(C11H8Cl2N4)2]·2CH3CN, the Ag(I) atom is four-coordinated and exhibits a highly distorted tetrahedral coordination sphere defined by three N atoms from two 1-(3,5-di-chloro-pyridin-2-yl)-2-(pyridin-3-yl-methyl-idene)hy-drazine ligands and one O atom from a nitrate anion. Inter-molecular N-H?O hydrogen bonds link the complex mol-ecules, resulting in a two-dimensional supra-molecular structure parallel to (001).

| S-EPMC3790340 | biostudies-literature

[Aqua-bis-(nitrato-κO)copper(II)]-μ-{bis-[5-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl]selenide}-[diaqua-(nitrato-κO)copper(II)] nitrate monohydrate.

Project description:In the title binuclear complex, [Cu2(NO3)3(C18H16N6Se)(H2O)3]NO3·H2O, the Cu(II) ions are penta-coordinated in a tetra-gonal-pyramidal geometry. In both cases, the equatorial planes are formed by a chelating pyrazole-pyridine group, a water mol-ecule and a nitrate O atom, whereas the apical positions are occupied by a water mol-ecule for one Cu(II) ion and a nitrate O atom for the other. The organic selenide ligand adopts a trans configuration with respect to the C-Se-C plane. Numerous inter-molecular O-H⋯O and N-H⋯O hydrogen bonds between the coordinating and lattice water mol-ecules, nitrate anions and pyrazole groups are observed. π-π stacking inter-actions between the pyridine rings [averaged centroid-centroid distance = 3.652 (5) Å] are also present. The lattice water molecule is equally disordered over two sets of sites.

| S-EPMC3588734 | biostudies-literature

Bis{bis-(azido-κN)bis-[bis-(pyridin-2-yl-κN)amine]cobalt(III)} sulfate dihydrate.

Project description:The search for new mol-ecular materials with inter-esting magnetic properties, using the pseudohalide azide ion and di-2-pyridyl-amine (dpa, C10H9N3) as a chelating ligand, led to the synthesis and structure determination of the title compound, [Co(N3)2(dpa)2]2SO4·2H2O. The crystal structure comprises discrete [Co(dpa)2(N3)2](+) cations, sulfate anions, as well as H2O solvent mol-ecules. The Co(III) cations display a slightly distorted octa-hedral coordination sphere defined by two N atoms from azide anions and four N atoms from the pyridyl rings of two dpa ligands. In the crystal, extensive C-H⋯O, N-H⋯O, and O-H⋯O inter-actions result in supra-molecular sheets that lie parallel to the ab plane. The sheets are further linked through O-H⋯N inter-actions between the water mol-ecules of one sheet and azide anions of another sheet, forming a supra-molecular framework.

| S-EPMC4910331 | biostudies-literature

Bis[bis-(2-ethyl-5-methyl-1H-imidazol-4-yl-κN)methane](nitrato-κO,O')nickel(II) nitrate.

Project description:In the title compound, [Ni(NO(3))(C(13)H(20)N(4))(2)]NO(3), the Ni(II) ion shows a distorted octa-hedral geometry formed by four N atoms from two bis-(2-ethyl-5-methyl-1H-imidazol-4-yl)methane ligands and two O atoms from a chelating nitrate anion. Three ethyl groups in the complex cation and the O atoms of the uncoordinated nitrate anion are disordered over two sets of positions [occupancy ratios of 0.52 (3):0.48 (3) and 0.63 (3):0.37 (3), respectively]. In the crystal, inter-molecular N-H⋯O hydrogen bonds connect the complex cations into a zigzag chain along [010] and further N-H⋯O hydrogen bonds between the chains and the uncoordinated nitrate anions lead to layers parallel to (100).

| S-EPMC3051755 | biostudies-literature

Bis(2-amino-pyrimidine-κN)aqua-(nitrato-κO)(nitrato-κO,O')zinc(II).

Project description:The water-coordinated Zn atom in the title monoaqua zinc nitrate adduct of 2-amino-pyrimidine, [Zn(NO(3))(2)(C(4)H(5)N(3))(2)(H(2)O)], is bonded to a monodentate nitrate ion and is chelated by the other nitrate ion. The heterocyclic ligands coordinate through ring N-donor sites. The coordination geometry about the Zn(II) atom is a distorted octa-hedron. Intra-molecular N-H⋯O hydrogen bonds occur. In the crystal, adjacent adduct mol-ecules are linked by O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds into a layer motif parallel to (001).

| S-EPMC2983322 | biostudies-literature

Di-μ-chlorido-bis-{chlorido[4-nitro-N-(pyridin-2-yl-methyl-idene-κN)aniline-κN]mercury(II)}.

Project description:In the centrosymmetric dinuclear title complex, [Hg(2)Cl(4)(C(12)H(9)N(3)O(2))(2)], the Hg(II) ion is in a distorted square-pyramidal coordination environment formed by the N atoms of the diimine ligand, two bridging Cl atoms and one terminal Cl atom. One of the bridging Hg-Cl bonds is significantly longer than the other.

| S-EPMC3051965 | 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