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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-?N]eth-yl}pyridine-?N)(?(5)-penta-methyl-cyclo-penta-dien-yl)rhodium(III) chloride.

Project description:The cation of the title compound, [Rh(?(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

Bis[?-2-(aminosulfanyl)pyridine(1-)]bis-[(?-penta-methyl-cyclo-penta-dien-yl)iridium(III)] diiodide.

Project description:In the title dinuclear iridium(III) complex, [Ir(2)(C(10)H(15))(2)(C(5)H(5)N(2)S)(2)]I(2), the iridium(III) atoms are bridged by 2-(aminosulfanyl)pyridine(1-) [(2-py)SNH] ligands in a ?-(2-py)SNH-?(2)N(py),N(NH):?N(NH) mode. The dinuclear complex cation lies on a crystallographic inversion center, resulting in a planar Ir(2)N(2) ring with an Ir-N(py) bond length of 2.085?(9)?Å and bridging Ir-N(NH) bonds of 2.110?(9) and 2.113?(9)?Å. The two (2-py)S units have mutually anti configurations with respect to the Ir(2)N(2) ring.

| S-EPMC2970401 | biostudies-literature

(?-Benzophenone)(?-penta-methyl-cyclo-penta-dien-yl)ruthenium(II) tetra-phenyl-borate.

Project description:The structure of the title compound, [Ru(C(10)H(15))(C(13)H(10)O)](C(24)H(20)B), consists of discrete [Cp*Ru(II)benzophenone] cations and tetra-phenyl-borate anions (Cp* = penta-methyl-cyclo-penta-dien-yl). Tethering the Cp*Ru group to one aryl ring of benzophenone results in average values of 1.42?(1) and 1.38?(1)?Å for the C-C bond lengths in the Ru-tethered and untethered phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings of the benzophenone group is 50.5?(1)°.

| S-EPMC2971317 | biostudies-literature

Tricarbonyl-chlorido(?(5)-cyclo-penta-dien-yl)molybdenum(II).

Project description:The structure of the title compound, [Mo(C(5)H(5))Cl(CO)(3)], reveals a pseudo-square-pyramidal piano-stool coordination around the Mo(II) ion, which is surrounded by a cyclo-penta-dienyl ring, three carbonyl groups and a chloride ligand.

| S-EPMC3343786 | biostudies-literature

Acetonitrile-dicarbon-yl(?-penta-methyl-cyclo-penta-dien-yl)iron(II) tetra-fluorido-borate.

Project description:In the structure of the title compound, [Fe{?(5)-C(5)(CH(3))(5)}(NCCH(3))(CO)(2)]BF(4), the arrangement of ligands around the Fe atom is in a pseudo-octa-hedral three-legged piano-stool fashion in which the penta-methyl-cyclo-penta-dienyl (Cp*) ligand occupies three apical coordination sites, while the two carbonyl and one acetonitrile ligands form the basal axes of the coordination. The Fe-N bond length is 1.924?(3)?Å and the Fe-Cp* centroid distance is 1.722?Å.

| S-EPMC3151746 | biostudies-literature

Azido-(?(5)-penta-methyl-cyclo-penta-dien-yl)[2-(pyridin-2-yl)phen-yl]iridium(III).

Project description:In the title compound, [Ir(C10H15)(C11H8N)(N3)], the Ir(III) ion is coordinated by three anionic ligands, namely, penta-methyl-cyclo-penta-dienyl (Cp*(-)), 2-(pyridin-2-yl)phenyl (ppy(-)) and azide (N3 (-)), and adopts a three-legged piano-stool geometry The coordination mode of N3 (-) is typical for Cp*Ir(III)-N3 complexes, with an Ir-N(N3) bond length of 2.125?(2)?Å and an Ir-N=N bond angle of 116.5?(2)°. The N3 (-) ligand is almost linear [N=N=N = 176.0?(3)°], and the N=N bond length between the central and coordinating N atom and that between the central and non-coordinating terminal N atom are 1.194?(3) and 1.157?(3)?Å, respectively. For the ppy(-) ligand, the Ir-C and Ir-N bond lengths are 2.066?(3) and 2.079?(3)?Å, respectively, which are rather close to each other, compared to the related Ir(III)- or Rh(III)-ppy complexes. The Ir-C(Cp*) bond lengths vary in the range 2.163?(2)-2.232?(2)?Å, indicating a strong trans influence of the cyclo-metallated C-donor atom of the ppy(-) ligand.

| S-EPMC3790367 | biostudies-other

Chlorido[1-diphenyl-phosphanyl-3-(phenyl-sulfan-yl)propane-?(2)P,S](?(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(?(5)-C(5)Me(5))Cl{Ph(2)P(CH(2))(3)SPh-?P,?S}](+) cations, chloride anions and water mol-ecules. The Ir(III) atom is coordinated by an ?(5)-C(5)Me(5) ligand, a chloride and a Ph(2)P(CH(2))(3)SPh-?P,?S 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

Di-?2-chlorido-bis-[chlorido(?(5)-2,3,4,5-tetra-methyl-1-propyl-cyclo-penta-dien-yl)iridium(III)].

Project description:The asymmetric unit of the title complex, [Ir2Cl4(C12H19)2], a versatile starting material for the preparation of uniquely substituted penta-alkyl-cyclo-penta-dien-yl-iridium complexes, consists of an iridium(III) atom, a substituted cyclo-penta-dienyl ligand and two chlorine ligands. The full dimer is generated by an inversion center. In the dimer, the two Ir(III) atoms and two bridging Cl atoms form a perfectly planar ring. The two Ir(III) atoms and the two terminal Cl atoms also form a rigorous plane that is orthogonal [89.48?(3)°] to the Ir2Cl2 ring. The plane of the cyclo-penta-dienyl ligand forms a dihedral angle of 54.06?(7)° with respect to the Ir2Cl2 ring.

| S-EPMC3588487 | biostudies-other

(?-Penta-methyl-cyclo-penta-dien-yl)(?-4-phenyl-butan-2-one)ruthenium(II) tetra-phenyl-borate.

Project description:The title compound, [Ru(C(10)H(15))(C(10)H(12)O)][B(C(6)H(5))(4)], crystallizes as discrete (?(5)-penta-methyl-cyclo-penta-dien-yl)Ru(?(6)-4-phenyl-butan-2-one)](+) cations and [BPh(4)](-) anions. In the cation, the non-H atoms of the butan-2-one group are approximately planar (r.m.s. deviation = 0.056?Å) and lie nearly perpendicular to the plane of the phenyl ring with a dihedral angle between the two planes of 69.3?(1)°. No significant C-H?O inter-actions are observed between the methyl and phenyl H atoms and the carbonyl O atom.

| S-EPMC3011665 | biostudies-literature

?-Oxido-bis-{bis-[(penta-fluoro-phen-yl)methano-lato](?-penta-methyl-cyclo-penta-dien-yl)titanium(IV)}.

Project description:The dinuclear title complex, [Ti(2)(C(10)H(15))(2)(C(7)H(2)F(5)O)(4)O], features two Ti(IV) atoms bridged by an O atom. Each Ti atom is bonded to a ?(5)-penta-methyl-cyclo-penta-dienyl ring, two (penta-fluoro-phen-yl)methano-late anions and to the bridging O atom. The environment around each Ti atom can be considered as a distorted tetra-hedron.

| S-EPMC3212174 | biostudies-literature

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