Halogen bonding in 1,2-dibromo-4,5-dimethoxy-benzene and 1,2-diiodo-4,5-dimethoxy-benzene

An interesting case of 'halogen-bonding-promoted' crystal structure architecture is presented. The two title compounds, C8H8Br2O2 and C8H8I2O2, have almost indistinguishable mol-ecular structures but very different spatial organization, and this is mainly due to differences in the halogen-...

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Detalles Bibliográficos
Autores: Cukiernik, F.D., Zelcer, A., Garland, M.T., Baggio, R.
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2008
País:Argentina
Institución:Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
Repositorio:Biblioteca Digital (UBA-FCEN)
Idioma:inglés
OAI Identifier:paperaa:paper_01082701_v64_n11_po604_Cukiernik
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_01082701_v64_n11_po604_Cukiernik
Access Level:acceso abierto
Palabra clave:Benzene
Bromine compounds
Halogen compounds
Asymmetric units
C links
Columnar arrays
Halogen bondings
Linear chains
Spatial organizations
Synthon
Title compounds
Crystal structure
Descripción
Sumario:An interesting case of 'halogen-bonding-promoted' crystal structure architecture is presented. The two title compounds, C8H8Br2O2 and C8H8I2O2, have almost indistinguishable mol-ecular structures but very different spatial organization, and this is mainly due to differences in the halogen-bonding inter-actions in which the different species present, i.e. Br and I, take part. The dibromo structure exhibits a π-bonded columnar array involving all four independent mol-ecules in the asymmetric unit, with inter-columnar inter-actions governed by C - Br⋯Br - C links and with no C - Br⋯O/N inter-actions present. In the diiodo structure, instead, the C - I⋯O synthon prevails, defining linear chains, in turn inter-linked by C - I⋯I - C inter-actions. © 2008 International Union of Crystallography.