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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.

Berger M, Auner N, Bolte M - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: 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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Affiliation: Institut für Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt/Main, Germany.

ABSTRACT
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.

No MeSH data available.


Perspective view of the title comopound with displacement ellipsoids drawn at the 50% probability level. The C—H···Br hydrogen bond is drawn as a dashed line. Atoms labelled with suffix A were generated by the symmetry operator x, -y + 1/2, z.
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Fap1: Perspective view of the title comopound with displacement ellipsoids drawn at the 50% probability level. The C—H···Br hydrogen bond is drawn as a dashed line. Atoms labelled with suffix A were generated by the symmetry operator x, -y + 1/2, z.


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.

Berger M, Auner N, Bolte M - Acta Crystallogr Sect E Struct Rep Online (2014)

Perspective view of the title comopound with displacement ellipsoids drawn at the 50% probability level. The C—H···Br hydrogen bond is drawn as a dashed line. Atoms labelled with suffix A were generated by the symmetry operator x, -y + 1/2, z.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257239&req=5

Fap1: Perspective view of the title comopound with displacement ellipsoids drawn at the 50% probability level. The C—H···Br hydrogen bond is drawn as a dashed line. Atoms labelled with suffix A were generated by the symmetry operator x, -y + 1/2, z.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Institut für Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt/Main, Germany.

ABSTRACT
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.

No MeSH data available.