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

Matthias Berger; Norbert Auner; Michael Bolte

doi:10.1107/S1600536814023150

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

Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 24;70(Pt 11):o1193-4. doi: 10.1107/S1600536814023150. eCollection 2014 Nov 1.

Authors

Matthias Berger¹, Norbert Auner¹, Michael Bolte¹

Affiliation

¹ 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.

Keywords: Arduengo-type carbene; C—H⋯Br hydrogen bond; crystal structure.