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1,3-Bis(2,4,6-trimethyl-phen-yl)-3H-imidazol-1-ium tetra-oxidorhenate(VII).

ABSTRACT: The title compound, (C(21)H(25)N(2))[ReO(4)], was formed as the unexpected product in an attempted synthesis of a rhenium(I)-N-heterocyclic carbene (NHC) complex. The compound has crystallographic mirror symmetry with both the cation and the tetrahedral anion located across a mirror plane. The cation and anion are linked by a C-H?O hydrogen bond.

SUBMITTER: Landman M

PROVIDER: S-EPMC3238778 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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1,3-Bis(2,4,6-trimethyl-phen-yl)-3H-imidazol-1-ium tetra-oxidorhenate(VII).

Landman Marilé M van der Westhuizen Belinda B Bezuidenhout Daniela I DI Liles David C DC

Acta crystallographica. Section E, Structure reports online 20111130 Pt 12

The title compound, (C(21)H(25)N(2))[ReO(4)], was formed as the unexpected product in an attempted synthesis of a rhenium(I)-N-heterocyclic carbene (NHC) complex. The compound has crystallographic mirror symmetry with both the cation and the tetrahedral anion located across a mirror plane. The cation and anion are linked by a C-H⋯O hydrogen bond. ...[more]

PMID: 22199655

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Bis[1,3-bis-(2,4,6-trimethyl-phen-yl)-2,3-dihydro-1H-imidazol-2-yl-idene]dinitros-yl(tetra-hydro-borato-?H,H')tungsten(0).

Project description:In the title paramagnetic 19-electron neutral complex, [W(BH(4))(C(21)H(24)N(2))(2)(NO)(2)], the W(0) atom is coordinated by two 1,3-bis-(2,4,6-trimethyl-phen-yl)imidazol-2-yl-idene (IMes) carbene ligands, two NO groups and two H atoms of an ?(2)-tetra-hydro-borate ligand. Depending on the number of coordination sites (n) assigned to the BH(4) (-) ligand, the coordination geometry of the W atom may either be described as approximately trigonal-bipyramidal (n = 1) or as very distorted octa-hedral with the bridging H atoms filling two coordination positions (n = 2). In the latter case, the coplanar NO groups and bridging H atoms (r.m.s. deviation = 0.032?Å) form one octa-hedral plane, with mutually trans-oriented carbene ligands. In the crystal, mol-ecules are connected via C-H?O inter-actions.

| S-EPMC3050354 | 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

{?-5-[1,3-Bis(2,4,6-trimethyl-phen-yl)-3H-imidazolium-2-yl]-2-(2-oxoethenyl-1?C)furan-3-yl-2?C}-?-hydrido-bis(tetra-carbonyl-rhenium) tetra-hydro-furan 0.67-solvate.

Project description:The title complex, [Re(2)(C(27)H(25)N(2)O(2))H(CO)(8)]·0.67C(4)H(8)O, was formed as a product in the reaction of a rhenium(I)-Fischer carbene complex with a free NHC carbene. The coordination environment about the two Re atoms is slightly distorted octahedral, including a bridging H atom. The imidazolium and furan groups are almost coplanar, whereas the mesityl substituents show an almost perpendicular arrangement with respect to both heterocyclic units. Mol-ecules of the complex pack in such a way as to form channels parallel with the bc unit-cell face diagonal running through the unit face diagonal. These channels are partially occupied by tetra-hydro-furan solvent mol-ecules.

| S-EPMC3297260 | biostudies-literature

Bis[1,3-bis-(2,4,6-trimethyl-phen-yl)-2,3-dihydro-1H-imidazol-2-yl-idene]dichloridodinitro-syltungsten(II) tetra-hydro-furan-d(8) monosolvate.

Project description:The mol-ecular structure of the title compound, [WCl(2)(NO)(2)(C(21)H(24)N(2))(2)]·C(4)D(8)O, displays a distorted octa-hedral arrangement around the W atom with two trans 1,3-bis-(2,4,6-trimethyl-phen-yl)imidazol-2-yl-idene (IMes) carbene ligands in axial positions. The four equatorial positions are occupied by nitrosyl and chloride ligands, which are trans to each other. The C(carbene)-W-C(carbene) bond angle of 173.44?(18)° and the Cl-W-N(nitros-yl) bond angles of 171.34?(11) and 171.32?(13)° deviate only slightly from linearity. The distortion comes from the nitrosyl and chloride ligands which are not fully coplanar since the two N atoms deviate from the WCl(2) plane by -0.279?(4) and 0.272?(4)?Å, respectively. An inter-molecular C-H?O inter-action connects the organometallic mol-ecule and the tetra-hydro-furan-d(8) solvent mol-ecule.

| S-EPMC3050297 | biostudies-other

1,3-Bis(2,6-diisopropyl-phen-yl)-4,5-dihydro-1H-imidazol-3-ium triiodide.

Project description:In the crystal structure of the title compound, C(27)H(39)N(2) (+)·I(3) (-), the imidazolidinium ring is perpendicular to a mirror plane which bis-ects the cation. The dihedral angle between the imidazolidinium ring and the benzene ring is 89.0?(2)°. The triiodide anion also lies on a mirror plane and is almost linear with an I-I-I bond angle of 178.309?(18)°.

| S-EPMC3011707 | biostudies-literature

Bis(2,4,6-trimethyl-phen-yl)zinc(II).

Project description:The title compound, [Zn(C(9)H(11))(2)] or Mes(2)Zn (Mes = mesityl = 2,4,6-trimethyl-phen-yl), crystallizes with a quarter of a mol-ecule in the asymmetric unit. The Zn(II) atom is in a strictly linear environment with a Zn-C bond length of 1.951?(5)?Å. Due to the imposed 2/m symmetry, both aromatic rings are coplanar. One of the methyl groups is disordered over two equally occupied positions.

| S-EPMC2969329 | biostudies-literature

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.

| S-EPMC3379414 | biostudies-literature

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

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.

| S-EPMC3379413 | biostudies-literature

Bis(2,4,6-trimethyl-pyridinium) tetra-bromidozincate.

Project description:In the title compound, (C(8)H(12)N)(2)[ZnBr(4)], the coordination geometry of the anion is approximately tetra-hedral. The Zn-Br bond lengths range from 2.3901?(19) to 2.449?(2)?Å and the Br-Zn-Br angles range from 107.09?(8) to 112.48?(8)°. In the crystal, each [ZnBr(4)](2-) anion is connected to four cations through two N-H?Br and two C-H?Br hydrogen bonds, forming two-dimensional ?(cation)(2)?anion?(cation(2))? sheets parallel to the bc plane. Within each sheet, the anions are arranged in stacks with no significant inter-anion Br?Br inter-actions [the shortest being > 4.3?Å], while the cations are in chains, with weak ?-? stacking inter-actions [centroid-centroid distance = 3.991?Å] between cations inter-acting with the same anion.

| S-EPMC3515090 | biostudies-other

[N,N'-Bis(2,4,6-trimethyl-phen-yl)ethane-1,2-diimine-?(2)N,N']tetra-carbonyl-chromium(0).

Project description:The octa-hedral coordination of the Cr(0) atom in the title compound, [Cr(C(20)H(24)N(2))(CO)(4)], displays some distortion. This is manifested by an exocyclic torsion angle C(mesitylene)-N-Cr-C(carbon-yl) that deviates by more than 20° from planarity. Another structural feature is the significant distortion from linearity of the Cr-C-O angles of the two carbonyl groups that inter-act with both ortho-methyl groups of the two mesitylene rings. The remaining two carbonyl groups overlap with the centres of the mesitylene rings themselves and are linear within <3°.

| S-EPMC3393193 | biostudies-literature

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