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 principales: Cukiernik, Fabio Daniel, Zelcer, Andrés
Publicado: 2008
Materias:
Benzene
Bromine compounds
Halogen compounds
Asymmetric units
C links
Columnar arrays
Halogen bondings
Linear chains
Spatial organizations
Synthon
Title compounds
Crystal structure
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01082701_v64_n11_po604_Cukiernik
http://hdl.handle.net/20.500.12110/paper_01082701_v64_n11_po604_Cukiernik
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_01082701_v64_n11_po604_Cukiernik
record_format dspace
spelling paper:paper_01082701_v64_n11_po604_Cukiernik2023-06-08T15:10:41Z Halogen bonding in 1,2-dibromo-4,5-dimethoxy-benzene and 1,2-diiodo-4,5-dimethoxy-benzene Cukiernik, Fabio Daniel Zelcer, Andrés Benzene Bromine compounds Halogen compounds Asymmetric units C links Columnar arrays Halogen bondings Linear chains Spatial organizations Synthon Title compounds Crystal structure 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. Fil:Cukiernik, F.D. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Zelcer, A. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2008 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01082701_v64_n11_po604_Cukiernik http://hdl.handle.net/20.500.12110/paper_01082701_v64_n11_po604_Cukiernik
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic Benzene
Bromine compounds
Halogen compounds
Asymmetric units
C links
Columnar arrays
Halogen bondings
Linear chains
Spatial organizations
Synthon
Title compounds
Crystal structure
spellingShingle Benzene
Bromine compounds
Halogen compounds
Asymmetric units
C links
Columnar arrays
Halogen bondings
Linear chains
Spatial organizations
Synthon
Title compounds
Crystal structure
Cukiernik, Fabio Daniel
Zelcer, Andrés
Halogen bonding in 1,2-dibromo-4,5-dimethoxy-benzene and 1,2-diiodo-4,5-dimethoxy-benzene
topic_facet Benzene
Bromine compounds
Halogen compounds
Asymmetric units
C links
Columnar arrays
Halogen bondings
Linear chains
Spatial organizations
Synthon
Title compounds
Crystal structure
description 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.
author Cukiernik, Fabio Daniel
Zelcer, Andrés
author_facet Cukiernik, Fabio Daniel
Zelcer, Andrés
author_sort Cukiernik, Fabio Daniel
title Halogen bonding in 1,2-dibromo-4,5-dimethoxy-benzene and 1,2-diiodo-4,5-dimethoxy-benzene
title_short Halogen bonding in 1,2-dibromo-4,5-dimethoxy-benzene and 1,2-diiodo-4,5-dimethoxy-benzene
title_full Halogen bonding in 1,2-dibromo-4,5-dimethoxy-benzene and 1,2-diiodo-4,5-dimethoxy-benzene
title_fullStr Halogen bonding in 1,2-dibromo-4,5-dimethoxy-benzene and 1,2-diiodo-4,5-dimethoxy-benzene
title_full_unstemmed Halogen bonding in 1,2-dibromo-4,5-dimethoxy-benzene and 1,2-diiodo-4,5-dimethoxy-benzene
title_sort halogen bonding in 1,2-dibromo-4,5-dimethoxy-benzene and 1,2-diiodo-4,5-dimethoxy-benzene
publishDate 2008
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01082701_v64_n11_po604_Cukiernik
http://hdl.handle.net/20.500.12110/paper_01082701_v64_n11_po604_Cukiernik
work_keys_str_mv AT cukiernikfabiodaniel halogenbondingin12dibromo45dimethoxybenzeneand12diiodo45dimethoxybenzene
AT zelcerandres halogenbondingin12dibromo45dimethoxybenzeneand12diiodo45dimethoxybenzene
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