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Chlorido-[(1,2,5,6-η)-cyclo-octa-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-yl-idene)rhodium(I).

ABSTRACT: A new neutral triazole-based N-heterocyclic carbene rhodium(I) complex [RhCl(C₈H₁₂)(C₈H₁₅N₃)], has been synthesized and structurally characterized. The complex crystallizes with two mol-ecules in the asymmetric unit. The central rhodium(I) atom has a distorted square-planar coordination environment, formed by a cyclo-octa-1,5-diene (COD) ligand, an N-heterocyclic carbene (NHC) ligand, and a chlorido ligand. The bond lengths are unexceptional. A weak inter-molecular non-standard hydrogen-bonding inter-action exists between the chlorido and NHC ligands.

SUBMITTER: Lerch TG

PROVIDER: S-EPMC11299652 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature

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Chlorido-[(1,2,5,6-η)-cyclo-octa-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-yl-idene)rhodium(I).

Lerch Timothy G TG Gau Michael M Albert Daniel R DR Rajaseelan Edward E

IUCrData 20240723 Pt 7

A new neutral triazole-based N-heterocyclic carbene rhodium(I) complex [RhCl(C8H12)(C8H15N3)], has been synthesized and structurally characterized. The complex crystallizes with two mol-ecules in the asymmetric unit. The central rhodium(I) atom has a distorted square-planar coordination environment, formed by a cyclo-octa-1,5-diene (COD) ligand, an N-heterocyclic carbene (NHC) ligand, and a chlorido ligand. The bond lengths are unexceptional ...[more]

PMID: 39108937

Similar Datasets

[(1,2,5,6-η)-Cyclo-octa-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-yl-idene)(tri-phenyl-phosphane)rhodium(I) tetra-fluorido-borate.

Project description:A new, cationic N-heterocyclic carbene RhI complex with a tetra-fluorido-borate counter-anion, [Rh(C8H12)(C8H15N3)(C18H15P)]BF4, has been synthesized and structurally characterized. There are two independent ion pairs in the asymmetric unit. Each complex cation exhibits a distorted square-planar conformation around the RhI atom. Bond lengths and bond angles are as expected for an Rh-NHC complex. There are several close, non-standard C-H⋯F hydrogen-bonding inter-actions between the ions. One of the tetra-fluorido-borate anions shows statistical disorder of the F atoms.

| S-EPMC11375597 | biostudies-literature

(Chlorido/bromido)[(1,2,5,6-η)-cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)rhodium(I)

Project description:The RhI atom in the title compound has a distorted square-planar coordination environment, defined by a bidentate cycloocta-1,5-diene (COD) ligand, an N-heterocyclic carbene and a chloride ligand with bromide substitutional disorder. A new triazole-based neutral RhI complex, [Rh(Cl0.846Br0.154)(C6H11N3)(C8H12)], has been synthesized and structurally characterized. The RhI atom has a distorted square-planar coordination environment, formed by a bidentate cycloocta-1,5-diene (COD) ligand, an N-heterocyclic carbene and a halide ligand that shows substitutional disorder (Cl:Br = 0.846:0.154). No significant intermolecular interactions other than van der Waals forces are found in the crystal structure. Diffraction data indicated a two-component inversion twin with a ratio of 0.95 (5):0.05 (5).

| S-EPMC9462365 | biostudies-literature

[2-Butyl-4-(4-tert-butyl-benz-yl)-1,2,4-triazol-3-yl-idene]chlorido[(1,2,5,6-η)-cyclo-octa-1,5-diene]iridium(I).

Project description:In the title compound, [IrCl(C(8)H(12))(C(17)H(25)N(3))], the Ir(I) ion has a distorted square-planar coordination geometry. The N-heterocyclic carbene ligand has an extended S-shaped conformation. The butyl group was refined using a two-part 1:1 disorder model. In the crystal, three unique weak C-H⋯Cl contacts are present. Two of these form a motif described as R(2) (1)(6) in graph-set notation, while a third forms an R(2) (2)(8) motif about a crystallographic inversion center. The result is a chain structure which extends parallel to the crystallographic a axis.

| S-EPMC3274890 | biostudies-literature

(4-Butyl-1-ethyl-1,2,4-triazol-5-yl-idene)[(1,2,5,6-η)-cyclo-octa-1,5-diene](tri-phenyl-phosphane)rhodium(I) tetra-fluorido-borate.

Project description:In the title triazole-based N-heterocyclic carbene rhodium(I) cationic complex with a tetra-fluorido-borate counter-anion, [Rh(C8H12)(C8H15N3)(C18H15P)]BF4, which crystallizes with two cations and two anions in the asymmetric unit, the Rh center has a distorted square-planar coordination geometry with expected bond distances. Several nonclassical C-H⋯F hydrogen-bonding inter-actions help to consolidate the packing. Two of the F atoms of one of the anions are disordered over adjacent sites in a 0.814 (4):0.186 (4) ratio.

| S-EPMC10842282 | biostudies-literature

Crystal structure of chlorido-bis-[(1,2,5,6-η)-cyclo-octa-1,5-diene]iridium(I).

Project description:The title complex, [IrCl(C8H12)2], was synthesized directly from the reaction of IrCl3·3H2O with a large excess of cod (cod = cyclo-octa-1,5-diene) in alcoholic solvent. Large yellow needles were obtained by the slow cooling of a hot solution. Based on the positions of the chloride ligand and the mid-points of the four C=C bonds, the mol-ecule adopts a five-coordinate geometry that is midway between square pyramidal and trigonal bipyramidal. The material crystallizes in the ortho-rhom-bic space group Pbca with one mol-ecule per asymmetric unit in a general position and shows no significant inter-molecular inter-actions. Individual mol-ecules are aligned along [010], and these rows form a pseudo-hexa-gonal packing arrangement.

| S-EPMC5290581 | biostudies-literature

Chlorido(η-cyclo-octa-1,5-diene)(N,N'-diethyl-thio-urea-κS)rhodium(I).

Project description:In the title rhodium(I) complex, [RhCl(C(8)H(12))(C(5)H(12)N(2)S)], N,N'-diethyl-thio-urea acts as a monodenate S-donor ligand. The rhodium(I) coordination sphere is completed by the Cl atom and the COD [= 1,5-cyclo-octa-diene] ligand inter-acting through the π-electrons of the double bonds. If the midpoints of these two bonds are taken into account, the Rh atom exhibits a distorted square-planar coordination. The syn conformation of the N,N'-diethyl-thio-urea ligand with respect to the Cl atom is stabilized by an intra-molecular N-H⋯Cl hydrogen bond. A weak inter-molecular N-H⋯Cl inter-action links mol-ecules along the a axis.

| S-EPMC3009226 | biostudies-literature

Chloridocyclo-hexyl[(1,2,5,6-η)-cyclo-octa-1,5-diene]platinum(II).

Project description:In the title complex, [Pt(C(6)H(11))Cl(C(8)H(12))], the Pt(II) ion lies in a distorted square-planar environment defined by the Cl and cyclo-hexyl C atoms and the mid-points of the two π-coordinated double bonds of cyclo-octa-1,5-diene. As a result of the different trans influences of the Cl atom and the cyclo-hexyl group, the Pt-C bonds trans to the cyclo-hexyl group are longer than those trans to the Cl atom.

| S-EPMC2971967 | biostudies-literature

Bromido[(1,2,5,6-η)-cyclo-octa-1,5-diene]methyl-platinum(II).

Project description:In the title complex, [PtBr(CH(3))(C(8)H(12))], the Pt(II) ion is in a distorted square-planar environment defined by the Br and methyl C atoms and the mid-points of the two π-coordinated double bonds of cyclo-octa-1,5-diene. As a result of the different trans influences of the Br atom and the methyl group, the Pt-C bonds trans to the methyl group [2.262 (11) and 2.261 (10) Å] are longer than those trans to the Br atom [2.118 (8) and 2.138 (9) Å].

| S-EPMC2980049 | biostudies-literature

Bis[1,2-bis-(dimethyl-phosphino)ethane-κP,P']rhodium(I) dichlorido[(1,2,5,6-η)-1,5-cyclo-octa-diene]rhodium(I).

Project description:In the title complex, [Rh(C(6)H(16)P(2))(2)][RhCl(2)(C(8)H(12))], the asymmetric unit contains two [Rh(dmpe)(2)] [dmpe = 1,2-bis-(dimethyl-phosphino)ethane] half-cations, lying on inversion centers, and an [RhCl(2)(cod)](-) (cod = 1,5-cyclo-octa-diene) anion, wherein Rh is coordinated by two chloride ligands and two olefinic π-bonds of the cyclo-octa-diene ligand. The Rh atoms in the cations and anion exhibit square-planar coordination and are separated without any unusual inter-actions.

| S-EPMC2959718 | biostudies-literature

(N-Benzoyl-N'-phenyl-thio-urea-κS)chlorido(η-1,5-cyclo-octa-diene)rhodium(I).

Project description:The title compound, [RhCl(C(8)H(12))(C(14)H(12)N(2)OS)], is a rhodium(I) derivative with a functionalized thio-urea ligand. Despite the presence of several heteroatoms, the thio-urea ligand coordinates only in a monodentate fashion via the S atom. The geometry of the coordination sphere is approximately square planar about the Rh(I) atom, with two bonds to the π-electrons of the 1,5-cyclo-octa-diene ligand, one bond to the Cl(-) ligand and one bond to the S atom of the thio-urea ligand. The mol-ecular structure is stabilized by intra-molecular N-H⋯O and N-H⋯Cl hydrogen bonding. Inter-molecular N-H⋯O hydrogen-bonding inter-actions lead to the formation of layers extending parallel to (011).

| S-EPMC3007502 | biostudies-literature

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