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"Comparison of halogen bonding and van der Waals and π-π interactions in 4,5-dibromo-2-hexyloxyphenol"
F.D. Cukiernik, F. Cecchi and R. Baggio
Acta Cryst. C 65(5) (2009) o233-o236
Abstract
The title compound, C12H16BrO2, is an interesting case of a simple organic molecule making use of five different types of intra- and intermolecular interactions (viz. conventional and nonconventional hydrogen bonds, and π-π, Br…Br and Br…O contacts), all of them relevant in the molecular and crystal structure geometry. The molecules are strictly planar, with an intramolecular O-H…O hydrogen bond, and associate into two-dimensional structures parallel to (201) through two different types of halogen bonding. The planar structures, in turn, stack parallel to each other interlinked by C-H…π and π-π contacts. Also discussed are the relevant structural features leading to the rather low melting point of the compound.
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