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Crystal structure of {3-[3,5-bis-(2,6-di-methyl-phen-yl)-1,2-phenyl-ene]-1-(2,6,2'',6''-tetra-methyl-1,1':3',1''-ter-phen-yl-5'-yl)imidazol-2-yl-idene}chlorido-(?(6)-p-cymene)ruthenium(II) benzene disolvate.

ABSTRACT: The title compound, [Ru(C47H43N2)Cl(C10H14)]·2C6H6, crystallized with two independent mol-ecules of benzene. One of the N-aryl moieties of the N-heterocyclic carbene (NHC) ligand underwent cyclo-metallation to form a five-membered ruthenacycle. The complex has a three-legged piano-stool structure with two C atoms incorporated in the five-membered ruthenacycle and a Cl atom as legs. The ruthenacycle is essentially coplanar with the imidazole ring of the NHC ligand, making a dihedral angle of 0.85?(8)°.

SUBMITTER: Sase S

PROVIDER: S-EPMC4257382 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of {3-[3,5-bis-(2,6-di-methyl-phen-yl)-1,2-phenyl-ene]-1-(2,6,2'',6''-tetra-methyl-1,1':3',1''-ter-phen-yl-5'-yl)imidazol-2-yl-idene}chlorido-(η(6)-p-cymene)ruthenium(II) benzene disolvate.

Sase Shohei S Ikehara Yuriko Y Goto Kei K

Acta crystallographica. Section E, Structure reports online 20141108 Pt 12

The title compound, [Ru(C47H43N2)Cl(C10H14)]·2C6H6, crystallized with two independent mol-ecules of benzene. One of the N-aryl moieties of the N-heterocyclic carbene (NHC) ligand underwent cyclo-metallation to form a five-membered ruthenacycle. The complex has a three-legged piano-stool structure with two C atoms incorporated in the five-membered ruthenacycle and a Cl atom as legs. The ruthenacycle is essentially coplanar with the imidazole ring of the NHC ligand, making a dihedral angle of 0.85 ...[more]

PMID: 25553006

Similar Datasets

(?(6)-p-Cymene)(1,3-dimesityl-2,3-dihydro-1H-imidazol-2-yl-idene)bis-(pentafluorobenzoato-?O)ruthenium(II) dichloro-methane disolvate.

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1,1'-[(Biphenyl-4,4'-di-yl)bis-(methyl-ene)]di-1H-imidazol-3-ium tetra-chlorido-mercurate(II).

Project description:In the title compound, (C(20)H(20)N(4))[HgCl(4)], the Hg(II) ion is four-coordinated in a tetra-hedral environment defined by four chloride ions. The dihedral angle between the two phenyl rings is 32.83?(15)°. The protonated 1,1'-[(biphenyl-4,4'-di-yl)bis-(meth-yl-ene)]di-1H-imidazol-3-ium cations, showing a cis conformation, link the [HgCl(4)](2-) anions into an R(4) (4)(42) motif via N-H?Cl hydrogen bonds.

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Project description:In the title compound, [Pt(C17H19N4)Cl], the Pt(II) cation is C,C',C''-chelated by the 1,1'-(5-methyl-1,3-phenyl-ene)bis-(3,5-dimethyl-1H-imidazolyl-idene) anion and coordinated by a Cl(-) anion in a distorted square-planar coordination geometry. π-π stacking is observed between nearly parallel imidazole and benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.802 (4) Å.

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4-[Amino-(3-methyl-phen-yl)methyl-idene]-2-(3-methyl-phen-yl)-1H-imidazol-5(4H)-one ethanol hemisolvate.

Project description:In the title compound, C(18)H(17)N(3)O·0.5C(2)H(5)OH, the dihedral angles between the central imidazole rings and the pendant benzene rings are 42.06?(15) and 2.01?(16)° in one asymmetric mol-ecule and 47.91?(15) and 7.31?(14)° in the other. An intra-molecular N-H?O hydrogen bond occurs in each imidazole mol-ecule. In the crystal, the components are connected by O-H?N, N-H?O, C-H?O and N-H?N hydrogen bonds. Weak aromatic ?-? inter-actions also occur [shortest centroid-centroid distance = 3.684?(3)?Å].

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Project description:In the title compound, C(27)H(37)N(2) (+)·Cl(-)·2CH(2)Cl(2), the cation and the anion are each located on a crystallographic mirror plane. Both of the dichloro-methane solvent mol-ecules show a disorder across a mirror plane over two equally occupied positions. Additionally, one isopropyl group is also disordered. In the crystal, the cations are connected to the chloride ions via C-H⋯Cl hydrogen bonds.

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1,3-Bis(2,6-diisopropyl-phen-yl)-1H-imidazol-3-ium bromide dichloro-methane disolvate.

Project description:In the title compound, C(27)H(37)N(2) (+)·Br(-)·2CH(2)Cl(2), both the cation and the anion are located on a crystallographic mirror plane. Both of the dichloro-methane solvent mol-ecules show a disorder across a mirror plane over two equally occupied positions. In the crystal, the cations are connnected to the bromide ions via C-H⋯Br hydrogen bonds.

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Crystal structure of bis-[μ-(4-meth-oxy-phen-yl)methane-thiol-ato-κ(2) S:S]bis-[chlorido-(η(6)-1-isopropyl-4-methyl-benzene)-ruthenium(II)] chloro-form disolvate.

Project description:The mol-ecular structure of the title complex, [Ru2(C8H9OS)2Cl2(C10H14)2]·2CHCl3 or (p-MeC6H4Pr (i) )2Ru2(SCH2-p-C6H5-OCH3)2Cl2·2CHCl3, shows inversion symmetry. The two symmetry-related Ru(II) atoms are bridged by two 4-meth-oxy-α-toluene-thiol-ato [(4-meth-oxy-phen-yl)methane-thiol-ato] units. One chlorido ligand and the p-cymene ligand complete the typical piano-stool coordination environment of the Ru(II) atom. In the crystal, the CH moiety of the chloro-form mol-ecule inter-acts with the chlorido ligand of the dinuclear complex, while one Cl atom of the solvent inter-acts more weakly with the methyl group of the bridging 4-meth-oxy-α-toluene-thiol-ato unit. This assembly leads to the formation of supra-molecular chains extending parallel to [021].

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Project description:The title compound, C(34)H(22)Cl(4)N(4)O(2)·2CHCl(3), is a new urea based on the 1,1'-binaphthalene skeleton, which crystallizes with two mol-ecules of binaphthalene and four mol-ecules of chloro-form in the unit cell. The chloro-form solvent mol-ecules do not participate in non-covalent inter-actions and therefore, can be found in several positions. The binaphthalene mol-ecules are connected via a system of N-H⋯O hydrogen bonds between the ureido units. C-H⋯O inter-actions also occur. In contrast to unsubstituted urea, where mol-ecules form squares in crystals, the bulky substituents disturb this arrangement and three ureido groups form infinite chains, while the fourth inter-acts with a neighbouring binaphthalene ring via an N-H⋯π inter-action. The solvent molecules are disordered with occupancy ratios of 0.60:0.40, 0.58:0.42, 0.50:0.50 and 0.77:0.23.

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