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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
1,3-Bis(4-bromo-phen-yl)-1H-imidazol-3-ium tetra-fluoro-borate
Halliru Ibrahim1, Sizwe J Zamisa2, Muhammad D Bala2
1Department of Chemistry, Durban University of Technology, PO Box 1334, Durban, 4000, South Africa.
Abstract:
The crystal of the title salt, C15H11Br2N2 +·BF4 -, contains one half of a 1,3-bis-(4-bromo-phen-yl)imidazolium cation and one half of a tetra-fluoro-borate anion in the asymmetric unit; the complete ions are generated by crystallographic twofold symmetry. The imidazolium cation adopts a syn-periplanar conformation, with the 4-bromo-phenyl rings inclined to the central imidazolium ring by 36.04 (4)°. In the crystal, the tetra-fluoro-borate anion participates in structure-directing halogen-bonding contacts through F⋯Br and F⋯π(phen-yl) inter-actions. These are complemented by inter-molecular π-π and Br⋯π inter-actions, which assemble the ions into two-dimensional supra-molecular sheets lying parallel to the ac plane. The sheets are further linked by C-H⋯F hydrogen bonds, forming ring motifs of graph sets R 2 2(7) and R 2 1(4) within a three-dimensional supra-molecular network.
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