Browse
Submit Data
Databases
API
Help

Dataset Information

30 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Berger M

PROVIDER: S-EPMC3379414 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Berger Matthias M Auner Norbert N Sinke Tanja T Bolte Michael M

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

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. ...[more]

PMID: 22719612

Similar Datasets

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

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.

| S-EPMC3007462 | biostudies-literature

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

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.

| S-EPMC4257239 | biostudies-literature

2-Bromo-1,3-diisopropyl-4,5-dimethyl-1H-imidazol-3-ium dicyanidoargentate.

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.

| S-EPMC3254295 | biostudies-literature

(?(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.

| S-EPMC3588321 | biostudies-literature

1,3-Diprop-2-ynyl-1H-imidazol-3-ium bromide.

Project description:In the title salt, C(9)H(9)N(2) (+)·Br(-), the ethynyl groups are nearly anti-parallel to each other [the angle between the two ethynyl groups is179.7?(2)°]. No classical hydrogen bonds or ?-? inter-actions are observed. The mol-ecules are linked by C-H?Br hydrogen bonds. The bromide anions are involved in inter-actions with three H atoms.

| S-EPMC2961123 | biostudies-other

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)°.

| S-EPMC3629488 | biostudies-literature

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

3-(2-Bromo-benz-yl)-1-methyl-1H-imidazol-3-ium bromide.

Project description:In the title compound, C(11)H(12)BrN(2) (+)·Br(-), the imidazole and phenyl rings are nearly perpendicular, making a dihedral angle of 87.71?(7)°. The crystal structure is stabilized by non-classical inter-molecular C-H?Br hydrogen bonds and inversion-related mol-ecules are linked through ?-? inter-actions between the imidazole ring systems [centroid-centroid distance = 3.472?(6)?Å].

| S-EPMC3152033 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data