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

Autores
Cukiernik, F.D.; Zelcer, A.; Garland, M.T.; Baggio, R.
Año de publicación
2008
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
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.
Fuente
Acta Crystallogr Sect C Cryst Struct Commun 2008;64(11):o604-o608
Materia
Benzene
Bromine compounds
Halogen compounds
Asymmetric units
C links
Columnar arrays
Halogen bondings
Linear chains
Spatial organizations
Synthon
Title compounds
Crystal structure
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/2.5/ar
Repositorio
Biblioteca Digital (UBA-FCEN)
Institución
Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
OAI Identificador
paperaa:paper_01082701_v64_n11_po604_Cukiernik
Acceder
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oai_identifier_str paperaa:paper_01082701_v64_n11_po604_Cukiernik
network_acronym_str BDUBAFCEN
repository_id_str 1896
network_name_str Biblioteca Digital (UBA-FCEN)
spelling Halogen bonding in 1,2-dibromo-4,5-dimethoxy-benzene and 1,2-diiodo-4,5-dimethoxy-benzeneCukiernik, F.D.Zelcer, A.Garland, M.T.Baggio, R.BenzeneBromine compoundsHalogen compoundsAsymmetric unitsC linksColumnar arraysHalogen bondingsLinear chainsSpatial organizationsSynthonTitle compoundsCrystal structureAn 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.2008info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfhttp://hdl.handle.net/20.500.12110/paper_01082701_v64_n11_po604_CukiernikActa Crystallogr Sect C Cryst Struct Commun 2008;64(11):o604-o608reponame:Biblioteca Digital (UBA-FCEN)instname:Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturalesinstacron:UBA-FCENenginfo:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/2.5/ar2025-10-16T09:30:10Zpaperaa:paper_01082701_v64_n11_po604_CukiernikInstitucionalhttps://digital.bl.fcen.uba.ar/Universidad públicaNo correspondehttps://digital.bl.fcen.uba.ar/cgi-bin/oaiserver.cgiana@bl.fcen.uba.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:18962025-10-16 09:30:11.532Biblioteca Digital (UBA-FCEN) - Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturalesfalse
dc.title.none.fl_str_mv Halogen bonding in 1,2-dibromo-4,5-dimethoxy-benzene and 1,2-diiodo-4,5-dimethoxy-benzene
title Halogen bonding in 1,2-dibromo-4,5-dimethoxy-benzene and 1,2-diiodo-4,5-dimethoxy-benzene
spellingShingle Halogen bonding in 1,2-dibromo-4,5-dimethoxy-benzene and 1,2-diiodo-4,5-dimethoxy-benzene
Cukiernik, F.D.
Benzene
Bromine compounds
Halogen compounds
Asymmetric units
C links
Columnar arrays
Halogen bondings
Linear chains
Spatial organizations
Synthon
Title compounds
Crystal structure
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
dc.creator.none.fl_str_mv Cukiernik, F.D.
Zelcer, A.
Garland, M.T.
Baggio, R.
author Cukiernik, F.D.
author_facet Cukiernik, F.D.
Zelcer, A.
Garland, M.T.
Baggio, R.
author_role author
author2 Zelcer, A.
Garland, M.T.
Baggio, R.
author2_role author
author
author
dc.subject.none.fl_str_mv Benzene
Bromine compounds
Halogen compounds
Asymmetric units
C links
Columnar arrays
Halogen bondings
Linear chains
Spatial organizations
Synthon
Title compounds
Crystal structure
topic Benzene
Bromine compounds
Halogen compounds
Asymmetric units
C links
Columnar arrays
Halogen bondings
Linear chains
Spatial organizations
Synthon
Title compounds
Crystal structure
dc.description.none.fl_txt_mv 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.
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.
publishDate 2008
dc.date.none.fl_str_mv 2008
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/20.500.12110/paper_01082701_v64_n11_po604_Cukiernik
url http://hdl.handle.net/20.500.12110/paper_01082701_v64_n11_po604_Cukiernik
dc.language.none.fl_str_mv eng
language eng
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/2.5/ar
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/2.5/ar
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv Acta Crystallogr Sect C Cryst Struct Commun 2008;64(11):o604-o608
reponame:Biblioteca Digital (UBA-FCEN)
instname:Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
instacron:UBA-FCEN
reponame_str Biblioteca Digital (UBA-FCEN)
collection Biblioteca Digital (UBA-FCEN)
instname_str Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
instacron_str UBA-FCEN
institution UBA-FCEN
repository.name.fl_str_mv Biblioteca Digital (UBA-FCEN) - Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
repository.mail.fl_str_mv ana@bl.fcen.uba.ar
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score 12.712165

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