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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

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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(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

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

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

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

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

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

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