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Bromido[1-(η-4-tert-butyl-benz-yl)-3-(2,4,6-trimethyl-benz-yl)benzimidazol-2-yl-idene]chloridoruthenium(II).

ABSTRACT: A new ruthenium complex, [RuBrCl(C(28)H(32)N(2))], has been synthesized and characterized by elemental analysis, (1)H NMR, (13)C NMR, IR-spectroscopy and a single-crystal X-ray diffraction study. The Ru atom in this complex is best described as having a considerably distorted octa-hedral coordination environment with the arene occupying three coordination sites. Two further coordination sites are occupied by chloride and bromide ligands, while the sixth site is occupied by the carbene. The carbene portion of the ligand is a benzimidazole ring. This ring is connected to the C(6)H(4)C(CH(3))(3) arene by a CH(2) bridge. This leads to a system with very little apparent strain. The two halogen atoms are disordered between Br and Cl. Two partial Cl atoms share the same sites as two partial Br atoms so that the title compound effectively has one Cl and one Br atom. C-H⋯X (X = Cl, Br) hydrogen bonds help to stabilize the crystal structure.

SUBMITTER: Arslan H

PROVIDER: S-EPMC2967929 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Dichlorido[1-(2-methyl-benz-yl)-3-(?-2,4,6-trimethyl-benz-yl)-1H-2,3-dihydro-benzimidazol-2-yl-idene]ruthenium(II) dichloro-methane solvate.

Project description:The title complex, [RuCl(2)(C(25)H(26)N(2))]·CH(2)Cl(2), is best thought of as containing an octa-hedrally coordinated Ru center with the arene occupying three sites. Two Ru-Cl bonds and one Ru-carbene bond complete the distorted octa-hedron. The carbene portion of the ligand is a benzimidazole ring. This ring is connected to the C(6)H(2)(CH(3))(3) arene group by a CH(2) bridge. This leads to a system with very little apparent strain. A dichloro-methane solvent mol-ecule completes the crystal structure. Further stabilization is accomplished via C-H?N and C-H?Cl interactions.

| S-EPMC2968587 | biostudies-literature

1-(2-Phenyl-benz-yl)-3-(2,4,6-trimethyl-benz-yl)imidazolidinium bromide.

Project description:In the title salt, C(26)H(29)N(2) (+)·Br(-), which may serve as a precursor for N-heterocyclic carbenes, the imidazolidine ring adopts a twist conformation with a pseudo-twofold axis passing through the N-C-N carbon and the opposite C-C bond. The N-C-N bond angle [113.0?(4)°] and C-N bond lengths [1.313?(6) and 1.305?(6)?Å] confirm the existence of strong resonance in this part of the mol-ecule. In the crystal, a C-H?Br inter-action is present. The dihedral angle between the biphenyl rings is 64.3?(2)° and the phenyl rings make angles of 76.6?(3) and 18.5?(3)° with the plane of the imidazolidine ring.

| S-EPMC2968042 | biostudies-literature

4-tert-Butyl-2-[2-(1,3,3-trimethyl-indolin-2-yl-idene)ethyl-idene]cyclo-hexa-none.

Project description:The title mol-ecule, C(23)H(31)NO, has two alternative cyclo-hexa-none configurations at the 4-position in a ratio of 0.663?(3):0.337?(3). The plane of the five-membered planar ring in the indolin-2-yl-idene subtends an angle of 2.19?(7)° with its fused aromatic ring, an angle of 16.24?(8)° with the plane of the major cyclo-hexa-none configuration and an angle of 8.54?(15)° with the bridging planar ethyl-idene C atoms. These last atoms subtend an angle of 8.37?(16)° with the mean plane through the major cyclo-hexa-none configuration. The mol-ecules pack approximately parallel to the ([Formula: see text]01) plane via C-H?? and C-H?O inter-actions.

| S-EPMC3089154 | biostudies-literature

1-(4-tert-Butyl-benz-yl)-2-(4-tert-butyl-phen-yl)-1H-benzimidazole.

Project description:In the mol-ecule of the title compound, C(28)H(32)N(2), the benzimidazole ring system is almost planar [maximum deviation = 0.0221 (15) Å] and forms dihedral angles of 85.86 (4) and 32.09 (6)° with the benzene rings. In the crystal structure, mol-ecules are linked into chains running parallel to the a axis by inter-molecular C-H⋯N hydrogen bonds. The methyl groups of a tert-butyl group are rotationally disordered over two positions with refined site-occupancy factors of 0.636 (4) and 0.364 (4).

| S-EPMC2971974 | biostudies-literature

1-(3-Ammonio-methyl-2,4,6-trimethyl-benz-yl)-3-(2,4,6-trimethyl-phen-yl)imidazol-1-ium dibromide monohydrate.

Project description:In the title compound, C(25)H(35)N(3) (2+)·2Br(-)·H(2)O, the dihedral angles between the imidazole ring and the two outer benzene rings are 80.16 (16) and 69.40 (18)°. The component species are linked by N-H⋯Br, O-H⋯Br and C-H⋯Br hydrogen bonds.

| S-EPMC2977708 | biostudies-literature

Diethyl 2-{[3-(2,4,6-trimethyl-benz-yl)-1-phenyl-sulfonyl-1H-indol-2-yl]methyl-idene}propane-dioate.

Project description:In the title compound, C(32)H(33)NO(6)S, the indole ring system makes dihedral angles of 62.78?(10) and 80.53?(8)°, respectively, with the phenyl and benzene rings. In the crystal, the mol-ecules are linked through inter-molecular C-H?O hydrogen bonds, forming a chain along the a axis. Between the chains, a weak aromatic ?-? stacking inter-action [centroid-centroid distance = 3.831?(2)?Å] is observed.

| S-EPMC2979489 | biostudies-literature

N-(4-tert-Butyl-benz-yl)phthalimide.

Project description:The mol-ecule of the title compound [systematic name: 2-(4-tert-butyl-benz-yl)isoindoline-1,3-dione], C(19)H(19)NO(2), is V-shaped with a dihedral angle of 74.15?(7)° between the mean planes of the phthalimide unit and the benzene ring. The methyl groups of the tert-butyl substituent are disordered over two sets of positions, with an occupancy ratio of 0.700?(4):0.300?(4). In the crystal, inter-molecular C-H?O hydrogen bonds link adjacent mol-ecules into centrosymmetric dimers. An additional weak C-H?O contact, together with weak C-H?? and ?-? inter-actions [centroid-centroid distance = 3.961?(2)?Å] generate a three-dimensional network.

| S-EPMC2977282 | biostudies-literature

tert-Butyl 2-(1H-benzimidazol-1-yl)acetate.

Project description:In the title compound, C(13)H(16)N(2)O(2), the planes of the benzimidazole ring system and the acetate O-C=O fragment make a dihedral angle of 84.5?(3)°. In the crystal, mol-ecules are connected through C-H?N hydrogen bonds to form infinite chains in the [-110] direction.

| S-EPMC3297298 | biostudies-literature

Bromido(2,4,6-trimethyl-phen-yl)mercury(II).

Project description:Mol-ecules of the title compound, [HgBr(C(9)H(11))], are located on a crystallographic twofold rotation axis. Due to the mol-ecular symmetry, the Hg(II) atom is linearly coordinated by the ipso-C of the mesityl group and the Br atom. In the crystal, mol-ecules lie in planes parallel to (001).

| S-EPMC3343827 | biostudies-other

4-(2,4,6-Trimethyl-benz-yl)-1,3-thia-zol-2-amine.

Project description:The methyl-ene C atom in the title compound, C(13)H(16)N(2)S, is connected to a five-membered thia-zole ring and a mesityl substituent. The rings are aligned at 75.4 (1)°. The amino substitutent inter-acts with the ring N atom of an adjacent mol-ecule by an inter-molecular N-H⋯N hydrogen bond, generating a helical chain running along the b axis.

| S-EPMC3052085 | biostudies-literature

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