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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).

SUBMITTER: Stein T

PROVIDER: S-EPMC4647399 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature

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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.

Stein Timo T Hoffmann Frank F Fröba Michael M

Acta crystallographica. Section E, Crystallographic communications 20150912 Pt 10

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-coval ...[more]

PMID: 26594388

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