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Crystal structure of chlorido-(2-{[2-(4-chloro-phen-yl)hydrazin-1-yl-idene-?N (1)](phen-yl)meth-yl}pyridine-?N)(?(5)-penta-methyl-cyclo-penta-dien-yl)iridium(III) tetra-phenyl-borate.

ABSTRACT: The title compound, [Ir(?(5)-C5Me5)Cl(C18H14ClN3)]B(C6H5)4, is chiral at the metal center and crystallizes as a racemate. In the cation, the hydrazinyl-idene-pyridine ligand is N,N-coordinated through the N-pyridyl and N-hydrazinyl-idene groups forming a five-membered metallacycle. An intra-molecular C-H?Cl hydrogen bond is observed. In the crystal, centrosymmetrically-related cations are connected by C-Cl?? inter-actions, forming a dimeric structure. The crystal packing is further stabilized by weak inter-ionic C-H?? inter-actions.

SUBMITTER: Devika N

PROVIDER: S-EPMC4350695 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

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Crystal structure of chlorido-(2-{[2-(4-chloro-phen-yl)hydrazin-1-yl-idene-κN (1)](phen-yl)meth-yl}pyridine-κN)(η(5)-penta-methyl-cyclo-penta-dien-yl)iridium(III) tetra-phenyl-borate.

Devika Neelakandan N Raja Nandhagopal N Ananthalakshmi Subbiah S Therrien Bruno B

Acta crystallographica. Section E, Crystallographic communications 20150218 Pt 3

The title compound, [Ir(η(5)-C5Me5)Cl(C18H14ClN3)]B(C6H5)4, is chiral at the metal center and crystallizes as a racemate. In the cation, the hydrazinyl-idene-pyridine ligand is N,N-coordinated through the N-pyridyl and N-hydrazinyl-idene groups forming a five-membered metallacycle. An intra-molecular C-H⋯Cl hydrogen bond is observed. In the crystal, centrosymmetrically-related cations are connected by C-Cl⋯π inter-actions, forming a dimeric structure. The crystal packing is further stabilized by ...[more]

PMID: 25844211

Similar Datasets

Crystal structure of chlorido-(2-{1-[2-(4-chloro-phen-yl)hydrazin-1-yl-idene-κN]eth-yl}pyridine-κN)(η(5)-penta-methyl-cyclo-penta-dien-yl)rhodium(III) chloride.

Project description:The cation of the title compound, [Rh(η(5)-C5Me5)Cl(C13H12ClN3)]Cl, adopts a typical piano-stool geometry. The complex is chiral at the metal and crystallizes as a racemate. Upon coordination, the hydrazinyl-idene-pyridine ligand is non-planar, an angle of 54.42 (7)° being observed between the pyridine ring and the aromatic ring of the [2-(4-chloro-phen-yl)hydrazin-1-yl-idene]ethyl group. In the crystal, a weak inter-ionic N-H⋯Cl hydrogen bond is observed.

| S-EPMC4350752 | biostudies-literature

(η-Penta-methyl-cyclo-penta-dien-yl)(η-p-toluene-sulfonamide)ruthenium(II) tetra-phenyl-borate.

Project description:The crystal structure of the title compound, [Ru(C(10)H(15))(C(7)H(9)NO(2)S)]C(24)H(20)B, has been determined as part of our investigation into the structural and biological properties of organometallic Ru(II)-arene-Cp* complex salts of the type [R-PhRuCp*](+)·X(-) (where Cp* is penta-methyl-cyclo-penta-diene). Tethering the RuCp* group to the benzene ring of p-toluene-sulfonamide results in only minor changes to the mol-ecular geometry of the sulfonamide, but, together with crystallization as the [BPh(4)](-) salt, effectively blocks involvement of the sulfonamide group in N-H⋯O hydrogen-bonding networks.

| S-EPMC2960125 | biostudies-literature

(η-Isopropyl N-phenyl-carbamate)(η-penta-methyl-cyclo-penta-dien-yl)ruthenium(II) tetra-phenyl-borate acetone monosolvate.

Project description:The title complex, [Ru(C(10)H(15))(C(10)H(13)NO(2))](C(24)H(20)B)·C(3)H(6)O, is related to the analogous O-methyl complex. The average Ru-C distance to the penta-methyl-cyclo-penta-dienyl (Cp*) group is 2.19 (3) Å, and 2.21 (1) Å to the ortho, meta and para C atoms of the arene ring. The Ru-C(ipso) bond length of 2.272 (3) Å is significantly longer, reflecting movement of the Ru atom away from the C atoms with electronegative substituents attached. The amide H atom in the cation forms an inter-molecular N-H⋯O hydrogen bond with the carbonyl O atom of the acetone solvent mol-ecule. A C-H⋯O inter-action also occurs.

| S-EPMC3200656 | biostudies-literature

Chlorido[1-diphenyl-phosphanyl-3-(phenyl-sulfan-yl)propane-κ(2)P,S](η(5)-penta-methyl-cyclo-penta-dien-yl)iridium(III) chloride monohydrate.

Project description:The crystal structure of the title compound, [Ir(C(10)H(15))Cl(C(21)H(21)PS)]Cl·H(2)O, consists of discrete [Ir(η(5)-C(5)Me(5))Cl{Ph(2)P(CH(2))(3)SPh-κP,κS}](+) cations, chloride anions and water mol-ecules. The Ir(III) atom is coordinated by an η(5)-C(5)Me(5) ligand, a chloride and a Ph(2)P(CH(2))(3)SPh-κP,κS ligand, leading to a three-legged piano-stool geometry. In the crystal, two water molecules and two chloride anions are linked by weak O-H⋯Cl hydrogen bonding into tetra-mers that are located on centers of inversion. The H atoms of one of the methyl groups are disordered and were refined using a split model.

| S-EPMC3379193 | biostudies-literature

(η-Cyclo-penta-dien-yl)[η-diethyl eth-yl(phen-yl)malonate]iron(II) hexa-fluorido-phosphate.

Project description:At 223 (2) K, the complexed rings in the iron(II) complex cation of the title salt, [Fe(C(5)H(5))(C(15)H(20)O(4))]PF(6), are almost parallel [dihedral angle between planes = 4.10 (14)°]. Among the C atoms of the complexed arene ring, the quaternary C atom is located at the longest distance from the Fe atom. The F atoms of the PF(6) (-) anion were found to be equally disordered over two sites.

| S-EPMC2959750 | biostudies-literature

Chlorido(chloro-diphenyl-phosphine-κP)(diphenyl-piperidinophosphine-κP)(η-penta-methyl-cyclo-penta-dien-yl)ruthenium(II).

Project description:The title compound, [Ru(C(10)H(15))Cl(C(12)H(10)ClP)(C(17)H(20)NP)], is a half-sandwich complex of Ru(II) with the chloro-diphenyl-phosphine ligand formed from the diphenyl-piperidinophosphine and chlorine of the precursor complex [Ru(η(5)-C(5)Me(5))(κ(1)P-Ph(2)PNC(5)H(10))Cl(2)] by an unexpected reaction with NaBH(4). The complex has a three-legged piano-stool geometry, with Ru-P bond lengths of 2.2598 (5) Å for the chloro-phosphine and 2.3303 (5) Å for the amino-phosphine.

| S-EPMC2977503 | biostudies-literature

Bis(η-penta-methyl-cyclo-penta-dien-yl)cobalt(II).

Project description:The crystal structure of the title compound, deca-methyl-cobaltocene, [Co(C(10)H(15))(2)], has been determined. High-quality single crystals were grown from a cold saturated hexa-methyl-disiloxane solution. The structure is related to the manganese and iron analogs. The molecule has D(5d) symmetry, with the Co atom in a crystallographic 2/m position. The cobalt-centroid(C(5)) distance is 1.71Å and the centroid(C(5))-Co-centroid(C(5)) angle is 180°, by symmetry.

| S-EPMC2969061 | biostudies-literature

(η-Penta-methyl-cyclo-penta-dien-yl)(η-toluene)-ruthenium(II) hexa-fluorido-phosphate.

Project description:In the title complex, [Ru(C(7)H(8))(C(10)H(15))]PF(6), the cation lies on a mirror plane and the anion lies on an inversion center. The distance between the Ru atom and the centroid of the benzene ring is 1.706 (5) Å and the distance between the Ru atom and the cyclo-penta-dienyl ring is 1.811 (5) Å. The crystal structure is stabilized by weak C-H⋯F hydrogen bonds. The H atoms of the methyl groups which lie on the mirror plane are disordered over two sites with equal occupancies.

| S-EPMC2983397 | biostudies-literature

Crystal structure of bis-(η(5)-cyclo-penta-dien-yl)(1,4-di-tert-butyl-buta-1-en-3-yn-1-yl)zirconium(IV) μ2-hydroxido-bis-[tris(penta-fluoro-phen-yl)borate].

Project description:Alkyl zirconocene cations have been of considerable inter-est as reactive species in many polymerization processes. In the crystal structure of the title compound, [Zr(C12H19)(C5H5)2](C36HB2F30O), the [Zr(C5H5)2((t-Bu)C=C(H)-C2(t-Bu))](+) cation displays a buta-1-en-3-yne ligand side-on coordinated to a typical bent zirconocene [centroid(cp)-Zr-centroid(cp) = 131.4 (3)°, Zr-C(buta-1-en-3-yne) = 2.255 (3), 2.597 (3) and 2.452 (2) Å]. In the [HO(B(C6F5)3)2](-) anion, intra-molecular O-H⋯F hydrogen bonds are observed. One tert-butyl group in the complex cation is disordered over two sets of sites with occupancies 0.701(4):0.299(4).

| S-EPMC4350704 | biostudies-literature

Tri-μ-chlorido-bis-[(η(5)-penta-methyl-cyclo-penta-dien-yl)rhodium(III)] hexa-fluorido-phosphate from synchrotron radiation.

Project description:In the title complex salt, [{(η(5)-C5Me5)Rh}2(μ-Cl)3]PF6, the dinuclear, single-charged cation is formed by the cojoining of two classic (η(5)-C5Me5)RhCl3 'piano-stool' units by bridging of the three choride ligand 'legs'. The crystal structure shows several close H⋯F contacts between the hexa-fluorido-phosphate counter-ions and the C5Me5 ligands.

| S-EPMC4029212 | biostudies-literature

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