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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-iodo­benzene

The bromo and iodo derivatives of a meta-bis­(1,3-oxazolin-2-yl)-substituted benzene, C(16)H(19)BrN(2)O(2)·0.15H(2)O (1) and C(16)H(19)IN(2)O(2) (2), have been prepared and studied in terms of their mol­ecular and crystal structures. While the former crystallizes as a sub-hydrate, with 0.15 formula...

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Detalles Bibliográficos
Autores principales: Stein, Timo, Hoffmann, Frank, Fröba, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647399/
https://www.ncbi.nlm.nih.gov/pubmed/26594388
http://dx.doi.org/10.1107/S2056989015016059
Descripción
Sumario:The bromo and iodo derivatives of a meta-bis­(1,3-oxazolin-2-yl)-substituted benzene, C(16)H(19)BrN(2)O(2)·0.15H(2)O (1) and C(16)H(19)IN(2)O(2) (2), have been prepared and studied in terms of their mol­ecular 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 inter­actions and (non-classical) hydrogen bonding for both (1) and (2), as well as relatively short I⋯N contacts for (2).