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

ABSTRACT: 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.

SUBMITTER: Berger M

PROVIDER: S-EPMC3379413 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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

Berger Matthias M Auner Norbert N Bolte Michael M

Acta crystallographica. Section E, Structure reports online 20120523 Pt 6

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. ...[more]

PMID: 22719611

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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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1,3-Bis(2,6-diisopropyl-phen-yl)imidazolidinium tetra-phenyl-borate dichloro-methane disolvate.

Project description:The title compound, C(27)H(39)N(2) (+)·C(24)H(20)B(-)·2CH(2)Cl(2), is the first reported imidazolidinium cation with the sterically demanding 2,6-diisopropyl-phenyl groups in the 1,3-positions. The crystal structure is stabilized by weak inter-molecular C-H??(arene) inter-actions. Due to the bulky nature of both the flanking 2,6-diisopropyl-phenyl substituents and the tetra-phenyl-borate counter-ion, anion inter-actions with the imidazolidinium H atom in the 2-position are not observed, also a first for this class of ortho-alkyl-substituted Arduengo-type carbene precursors.

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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)°.

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Project description:The title structure, (C(11)H(20)BrN(2))[Ag(CN)(2))], is built up from an approximately C(2v)-symmetric imidazolium cation and a nearly linear dicyanidoargentate anion [N-Ag-N = 176.6?(9)° and Ag-C-N = 178.8?(9) and 177.2?(11)°]. These two constituents are linked by a remarkably short inter-action between the Br atom of the imidazolium cation [C-Br = 1.85?(3)?Å] and one N atom of the cyanidoargentate anion [Br?N = 2.96?(2)?Å], which is much less than the sum of the van der Waals radii (3.40?Å). The crystal studied was twinned by merohedry.

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

Project description:The title compound, [Ru(C7F5O2)2(C10H14)(C21H24N2)]·2CH2Cl2, is formed as an orange crystalline powder by the reaction of RuCl2(p-cymene)(IMes) and AgOCOC6F5 in anhydrous tetra-hydro-furan (IMes = 1,3-dimesityl-2,3-di-hydro-1H-imidazol-2-yl-idene). The asymetric unit consists of two independent [Ru(C6F5COO)2(?(6)-p-cymene)(IMes)] com-plexes and four dichloro-methane solvent mol-ecules. In each complex molecule, the Ru atom presents a pseudo-octa-hedral environment with the p-cymene ligand occupying three facial coordination sites, while the remaining coordination positions are occupied by the O atoms of the penta-fluoro-benzoate ligands and by the imidazolyl-idene ligand.

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1,3-Bis(2-anilino-2-oxoeth-yl)-1H-imidazol-3-ium chloride.

Project description:In the cation of the title salt, C(19)H(19)N(4)O(2) (+)·Cl(-), the dihedral angles between the imidazole ring and the phenyl rings are 70.39?(8) and 86.26?(9)°. The chloride anion inter-acts with the cation through an N-H?Cl hydrogen bond. In the crystal, classical N-H?O hydrogen bonds link the cations into chains parallel to the b axis. Non-classical C-H?Cl and C-H?O hydrogen bonds further connect the chains into a three-dimensional network.

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Dichloridobis(1,3-diisopropyl-4,5-di-methyl-1H-imidazol-3-ium-2-thiol-ate-?S)copper(II).

Project description:The mol-ecular structure of the title compound, [CuCl2(C11H20N2S)2], shows the Cu(II) atom with a distorted tetra-hedral geometry from two Cl atoms [Cu-Cl = 2.2182?(6)?Å] and two thione S atoms [Cu-S = 2.3199?(6)?Å]. The angles at the copper cation, which lies on a twofold rotation axis, are Cl-Cu-Cl = 142.84?(4)°, Cl-Cu-S = 94.80?(2) and 99.97?(2)°, and S-Cu-S = 132.46?(4)°. The planes of the two imidazolium rings make a dihedral angle of 76.92?(8)°.

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Crystal structure of 1,3-bis-(2,6-diiso-propyl-phen-yl)-4,5-dimethyl-1H-imid-azol-3-ium bromide di-chloro-methane disolvate.

Project description:The title solvated salt, C29H41N2 (+)·Br(-)·2CH2Cl2 was obtained from the reaction of the Arduengo-type carbene 1,3-bis-(2,6-diiso-propyl-phen-yl)-1,3-dihydro-4,5-dimethyl-2H-imidazol-2-ylidene with Si2Br6 in di-chloro-methane. The complete cation is generated by a crystallographic mirror plane and the dihedral angle between the five-membered ring and the benzene ring is 89.8?(6)°; the dihedral angle between the benzene rings is 40.7?(2)°. The anion also lies on the mirror plane and both di-chloro-methane mol-ecules are disordered across the mirror plane over two equally occupied orientations. In the crystal, the cations are linked to the anions via C-H?Br hydrogen bonds.

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1,3-Bis(2,6-diisopropyl-anilino)-1-phenyl-butyl-ium hexa-fluorido-phosphate.

Project description:The cation of the title salt, C(34)H(45)N(2) (+)·PF(6) (-), is a protonated form of an unsymmetrical overcrowded ?-imino-amine. The observed bond lengths [C-N = 1.326?(4)-1.341?(4)?Å and C-C = 1.383?(4)-1.391?(4)?Å] suggest significant delocalization within the ? system of the N C C C N backbone.

| S-EPMC2915305 | biostudies-literature

1-(4-Nitro-phen-yl)-1H-imidazol-3-ium chloride.

Project description:In the title salt, C9H8N3O2(+)·Cl(-), the least-squares planes of the imidazolium and benzene rings are almost coplanar, making a dihedral angle of 4.59?(1)°. In the crystal, the chloride anion links the organic mol-ecules through N-H?Cl hydrogen bonds, forming chains that run diagonally across the bc face, which compliment strong C-H?O hydrogen bonds between neighbouring mol-ecules. These chains are connected to adjacent chains through two weak C-H?Cl inter-actions, resulting in hydrogen-bonded sheets extending along the b and c axes. The absolute structure of the title compound was determined using a Flack x parameter of 0.00?(6) and a Hooft y parameter of 0.03?(2).

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