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

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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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Autores principales: Cukiernik, F.D., Zelcer, A., Garland, M.T., Baggio, R.
Formato: Artículo publishedVersion
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:http://hdl.handle.net/20.500.12110/paper_01082701_v64_n11_po604_Cukiernik
http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_01082701_v64_n11_po604_Cukiernik_oai
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Repositorio Digital de la Universidad de Buenos Aires (UBA) de Universidad de Buenos Aires
id I28-R145-paper_01082701_v64_n11_po604_Cukiernik_oai
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spelling I28-R145-paper_01082701_v64_n11_po604_Cukiernik_oai2020-10-19 Cukiernik, F.D. Zelcer, A. Garland, M.T. Baggio, R. 2008 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. application/pdf http://hdl.handle.net/20.500.12110/paper_01082701_v64_n11_po604_Cukiernik info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar Acta Crystallogr Sect C Cryst Struct Commun 2008;64(11):o604-o608 Benzene Bromine compounds Halogen compounds Asymmetric units C links Columnar arrays Halogen bondings Linear chains Spatial organizations Synthon Title compounds Crystal structure Halogen bonding in 1,2-dibromo-4,5-dimethoxy-benzene and 1,2-diiodo-4,5-dimethoxy-benzene info:eu-repo/semantics/article info:ar-repo/semantics/artículo info:eu-repo/semantics/publishedVersion http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_01082701_v64_n11_po604_Cukiernik_oai
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-145
collection Repositorio Digital de la Universidad de Buenos Aires (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, F.D.
Zelcer, A.
Garland, M.T.
Baggio, R.
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.
format Artículo
Artículo
publishedVersion
author Cukiernik, F.D.
Zelcer, A.
Garland, M.T.
Baggio, R.
author_facet Cukiernik, F.D.
Zelcer, A.
Garland, M.T.
Baggio, R.
author_sort Cukiernik, F.D.
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 http://hdl.handle.net/20.500.12110/paper_01082701_v64_n11_po604_Cukiernik
http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_01082701_v64_n11_po604_Cukiernik_oai
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AT zelcera halogenbondingin12dibromo45dimethoxybenzeneand12diiodo45dimethoxybenzene
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