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Crystals 2012, 2(3), 1017-1033; doi:10.3390/cryst2031017

Halogen Interactions in 2,4,5-Tribromoimidazolium Salts

1
Faculty of Chemistry and Pharmacy, University of Innsbruck, 6020 Innsbruck, Austria
2
Competence Center of Wood Composites and Wood Chemistry K-Plus, 4021 Linz, Austria
3
Institute of Mineralogy and Petrography, University of Innsbruck, 6020 Innsbruck, Austria
*
Author to whom correspondence should be addressed.
Received: 22 May 2012 / Revised: 18 June 2012 / Accepted: 28 June 2012 / Published: 27 July 2012
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Abstract

The crystal structures of 2,4,5-tribromo-1-(prop-2-ynyl)imidazole and seven new 1,3-dialkyl-2,4,5-tribromoimidazolium salts (R1 = propenyl, propynyl, dibromopropenyl; R2 = Me, Et) with halogen-containing anions (tetrafluoroborate, hexafluorophosphate, triflimide) were determined. The structures revealed halogen...halogen and anion...π interactions. Contacts of the type Br...Br, Br...F, Br...O, Br...N, F...F, H...Br, H...F, F...π and O...π were identified. Specific interactions were quantified by Hirshfeld surface analysis.
Keywords: bromine; fluorine; halogen interaction; Hirshfeld surface analysis; imidazole bromine; fluorine; halogen interaction; Hirshfeld surface analysis; imidazole
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MDPI and ACS Style

Froschauer, C.; Kahlenberg, V.; Laus, G.; Schottenberger, H. Halogen Interactions in 2,4,5-Tribromoimidazolium Salts. Crystals 2012, 2, 1017-1033.

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