title: Crystal structures of 1-bromo-3,5-bis-(4,4-dimethyl-1,3-oxazolin-2-yl)benzene 0.15-hydrate and 3,5-bis-(4,4-dimethyl-1,3-oxazolin-2-yl)-1-iodo-benzene.
abstract: The bromo and iodo derivatives of a meta-bis-(1,3-oxazolin-2-yl)-substituted benzene, C16H19BrN2O2·0.15H2O (1) and C16H19IN2O2 (2), have been prepared and studied in terms of their mol-ecular and crystal structures. While the former crystallizes as a sub-hydrate, with 0.15 formula units of water and shows an almost all-planar arrangement of the three ring systems, the latter crystallizes solvate-free with the flanking heterocycles twisted considerably with respect to the central arene. Non-covalent contacts include parallel-displaced π-π inter-actions and (non-classical) hydrogen bonding for both (1) and (2), as well as relatively short I⋯N contacts for (2).
authors.affiliation: Institute of Inorganic and Applied Chemistry, Department of Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, D-20146 Hamburg, Germany.
authors.forename: Timo
authors.initials: T
authors.lastname: Stein
authors.affiliation: Institute of Inorganic and Applied Chemistry, Department of Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, D-20146 Hamburg, Germany.
authors.forename: Frank
authors.initials: F
authors.lastname: Hoffmann
authors.affiliation: Institute of Inorganic and Applied Chemistry, Department of Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, D-20146 Hamburg, Germany.
authors.forename: Michael
authors.initials: M
authors.lastname: Fröba
keywords: 2-oxazolines; N⋯I contacts; Phebox ligands; bromoar­yl; crystal structure; hydrogen bonding; iodoar­yl; isostructural compounds; parallel-displaced π–π inter­action