Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Cis-Bis[2-(1,3-benzothia-zol-2-yl)-1-(4-fluoro-phen-yl)ethen-yl](pentane-2,4-dionato-κO,O')iridium(III).

ABSTRACT: In the title compound, [Ir(C(15)H(9)FNS)(2)(C(5)H(7)O(2))], the Ir atom is hexa-coordinated by three chelating ligands, with two cyclo-metalated 2-(1,3-benzothia-zol-2-yl)-1-(4-fluoro-phen-yl)ethenyl ligands showing N,C-bidentate coordination and an O,O'-bidenate pentane-2,4-dionate anion, thereby forming a distorted octa-hedral enviroment.

SUBMITTER: Xiao GY

PROVIDER: S-EPMC2968936 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

[(4-Bromo-phen-yl)(2-pyridyl-methyl-idene)amine-κN,N']bis-(1,1,1,5,5,5-hexa-fluoro-pentane-2,4-dionato-κO,O')cobalt(II).

Project description:In the title complex, [Co(C(5)HF(6)O(2))(2)(C(12)H(9)BrN(2))], the Co(II) atom exhibits a pseudo-octa-hedral coordination geometry, comprising two N-donor atoms from a bidentate chelate (4-bromo-phen-yl)(2-pyridyl-methyl-idene)amine (ppa(Br)) ligand [Co-N = 2.098 (2) and 2.209 (2) Å] and four O-donor atoms from two bidentate chelate 1,1,1,5,5,5-hexa-fluoro-pentane-2,4-dionate (hfac) ligands [Co-O range = 2.0452 (19)-2.0796 (19) Å]. The packing of the structure involves weak π-π inter-actions between the pyridyl and benzene rings of neighbouring ppa(Br) ligands [centroid-centroid distance = 3.928 (2) Å] and inter-actions between the Br atom on the ppa(Br) ligand and the hfac ligand [Br⋯C = 3.531 (2) Å].

| S-EPMC3008124 | biostudies-literature

trans-Bis(1,1,1,5,5,5-hexa-fluoro-pentane-2,4-dionato-κO,O')bis-(4-methyl-1,2,3-selenadiazole-κN)copper(II).

Project description:In the title compound, [Cu(C(5)HF(6)O(2))(2)(C(3)H(4)N(2)Se)(2)], the Cu(II) atom (site symmetry ) is coordinated by two O,O'-bidentate 1,1,1,5,5,5-hexa-fluoro-2,4-penta-nedione (hp) ligands and two 4-methyl-1,2,3-selenadiazole mol-ecules, resulting in a slightly distorted trans-CuN(2)O(4) octa-hedral geometry in which the cis angles deviate by less than 3° from 90°. The selenadiazole plane is canted at 73.13 (17)° to the square plane defined by the penta-nedionate O atoms. The F atoms of one of the hp ligands are disordered over two sets of sites in a 0.66 (3):0.34 (3) ratio. There are no significant inter-molecular inter-actions in the crystal.

| S-EPMC2979973 | biostudies-literature

Bis[?-pentane-2,4-dionato(1-)]bis-{aqua-[1,1,1,5,5,5-hexa-fluoro-pentane-2,4-dionato(1-)]cobalt(II)}.

Project description:The title complex, [Co(2)(C(5)HF(6)O(2))(2)(C(5)H(7)O(2))(2)(H(2)O)(2)], is centrosymmetric with a crystallographic inversion center in the middle of the mol-ecule. The octa-hedrally coordinated Co(II) atoms are bridged by two chelating acetyl-acetonate (acac) ligands and two more electron-poor 1,1,1,5,5,5-hexa-fluoro-pentane-2,4-dionato (hfac) ligands are bonded terminally in a solely chelating manner. The coordinated water mol-ecules form inter-molecular O-H?O hydrogen bonds with electron-rich acac O atoms of neighboring mol-ecules, leading to strings of mol-ecules along the a axis.

| S-EPMC2971008 | biostudies-other

Bis(μ-4-phenyl-pyridine N-oxide-κO:O)bis-[bis-(1,1,1,5,5,5-hexa-fluoro-pentane-2,4-dionato)copper(II)].

Project description:The asymmetric unit of the title compound, [Cu(2)(C(5)HF(6)O(2))(4)(C(11)H(9)NO)(2)], contains one half of the centrosymmetric dinuclear complex. The coordination geometry of the Cu(II) atom is octa-hedral, exhibiting a typical Jahn-Teller distortion. One trifluoro-methyl group is rotationally disordered between two orientations in a 1:1 ratio.

| S-EPMC3006976 | biostudies-literature

Tris(1,1,1,5,5,5-hexa-fluoro-2,4-pentane-dionato-?O,O')molybdenum(III).

Project description:In the title compound, [Mo(C(5)HF(6)O(2))(3)], the unit cell is built up by three independent Mo(III) atoms located on two different threefold axes. The three independent mol-ecules are roughly identical and each Mo(III) atom is surrounded by three chelating hexa-fluoro-acetonate ligands in a three-bladed propeller-like arrangement, as observed in related compounds with acetyl-acetonate-type ligands. The structure of the title compound is very similar to the trigonal form of the Cr(III) analogue. However, the latter crystallizes in a higher-symmetry space group, Pc1. Both crystals are twinned by merohedry with the same twin law (0/010/00) in reciprocal space, but the symmetry of the Laue group in which it operates is different, to m for the title complex, and m to 6/mmm for the Cr(III) complex.

| S-EPMC2983654 | biostudies-literature

Potassium bis-(1,1,1,5,5,5-hexa-fluoro-pentane-2,4-dionato)bis-(4,4,4-trifluoro-1-phenyl-butane-1,3-dionato)europate(III).

Project description:In the crystal structure of the title complex, K[Eu(C(5)HF(6)O(2))(2)(C(10)H(6)F(3)O(2))(2)], the Eu(III) ion is in a slightly distorted square-anti-prismatic coordination geometry which is defined by eight O atoms of the anionic ?-diketone ligands. The two K(+) ions lie on crystallographic inversion centers. The Eu-O bond distances are in the range 2.294?(5)-2.413?(5)?Å. The crystal used was a non-merohedral twin, the ratio of the twin domains being 0.5236?(5):0.4764?(5).

| S-EPMC3006768 | biostudies-literature

[2,6-Di-fluoro-3-(pyridin-2-yl-?N)pyridin-4-yl-?C (4)](penta-ne-2,4-dionato-?(2) O,O')iridium(III).

Project description:The title compound, [Ir(C10H5F2N2)2(C5H7O2)], has a distorted octa-hedral coordination geometry around the Ir(III) atom, retaining the cis-C,C/trans-N,N chelate disposition in two 2,6-di-fluoro-3-(pyridin-2-yl-?N)pyridin-4-yl ligands which are nearly mutually perpendicular [dihedral angle = 82.75?(15)°]. The mol-ecular structure is stabilized by weak C-H?O and C-H?F hydrogen-bond inter-actions. The crystal structure is stabilized by ?-? stacking inter-actions (centroid-centroid distance = 3.951?Å).

| S-EPMC3884251 | biostudies-literature

[4-Bromo-N-(pyridin-2-yl-methyl-idene)aniline-?N,N']bis-(1,1,1,5,5,5-hexa-fluoro-pentane-2,4-dionato-?O,O')nickel(II).

Project description:The title compound, [Ni(C(5)HF(6)O(2))(2)(C(12)H(9)BrN(2))], the Ni(II) atom exhibits a pseudo-octa-hedral coordination geometry. The structure packs through C-H?Br inter-actions, forming a hydrogen-bonded ladder. There are also strong hydrogen-bonding inter-actions between two of the O atoms of the ?-diketonate ligands and two H atoms on the pyridine ring of the Schiff base ligand.

| S-EPMC3100069 | biostudies-literature

Crystal structure of bis-[2-tert-but-oxy-6-fluoro-3-(pyridin-2-yl-?N)pyridin-4-yl-?C (4)](pentane-2,4-dionato-?(2) O,O')iridium(III).

Project description:The title mol-ecule, [Ir(C14H14FN2O)2(C5H7O2)], is located on a twofold rotation axis, which passes through the Ir(III) atom and the central C atom of the pentane-2,4-dionate anion. The Ir(III) atom adopts a distorted octa-hedral coordination geometry, being C,N-chelated by two 2-tert-but-oxy-6-fluoro-3-(pyridin-2-yl)pyridin-4-yl ligands and O,O'-chelated by the pentane-2,4-dionato ligand. The bipyridinate ligands, which are perpendicular to each other [dihedral angle between the two least-squares planes = 89.95?(5)°], are arranged in a cis-C,C' and trans-N,N' fashion relative to the central metal cation. Intra-molecular C-H?O and C-H?N hydrogen bonds and inter-molecular C-H?F hydrogen bonds as well as ?-? inter-actions between neighbouring pyridine rings [centroid-centroid distance 3.680?(1)?Å] contribute to the stabilization of the mol-ecular and crystal structure, respectively.

| S-EPMC4257303 | biostudies-other

1-(5-Chloro-6-fluoro-1,3-benzothia-zol-2-yl)hydrazine.

Project description:In the title compound, C(7)H(5)ClFN(3)S, the 1,3-benzothia-zole ring system is nearly planar (r.m.s. deviation = 0.023 Å). In the crystal, mol-ecules are linked via inter-molecular N-H⋯N hydrogen bonds into a two-dimensional network parallel to (100).

| S-EPMC3414915 | 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