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

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

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Detalhes bibliográficos
Autores: Cukiernik, Fabio Daniel, Zelcer, Andrés, Garland, Maria Teresa, Baggio, Ricardo Fortunato
Tipo de documento: artigo
Estado:Versão publicada
Data de publicação:2008
País:Argentina
Recursos:Consejo Nacional de Investigaciones Científicas y Técnicas
Repositório:CONICET Digital (CONICET)
Idioma:inglês
OAI Identifier:oai:ri.conicet.gov.ar:11336/102969
Acesso em linha:http://hdl.handle.net/11336/102969
Access Level:Acceso aberto
Palavra-chave:Halogen bonding
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
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spelling Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzeneCukiernik, Fabio DanielZelcer, AndrésGarland, Maria TeresaBaggio, Ricardo FortunatoHalogen bondinghttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1An interesting case of ‘halogen-bonding-promoted’ crystal structure architecture is presented. The two title compounds, C8H8Br2O2 and C8H8I2O2, have almost indistinguishable molecular structures but very different spatial organization, and this is mainly due to differences in the halogen-bonding interactions in which the different species present, i.e. Br and I, take part. The dibromo structure exhibits a Pi-bonded columnar array involving all four independent molecules in the asymmetric unit, with intercolumnar interactions governed by C—Br...Br—C links and with no C—Br...O/N interactions present. In the diiodo structure, instead, the C—I...O synthon prevails, de.ning linear chains, in turn interlinked by C—I...I—C interactions.8H8Br2O2 and C8H8I2O2, have almost indistinguishable molecular structures but very different spatial organization, and this is mainly due to differences in the halogen-bonding interactions in which the different species present, i.e. Br and I, take part. The dibromo structure exhibits a Pi-bonded columnar array involving all four independent molecules in the asymmetric unit, with intercolumnar interactions governed by C—Br...Br—C links and with no C—Br...O/N interactions present. In the diiodo structure, instead, the C—I...O synthon prevails, de.ning linear chains, in turn interlinked by C—I...I—C interactions.Fil: Cukiernik, Fabio Daniel. Universidad de Buenos Aires. Facultad de Farmacia y Bioquímica. Departamento de Química Analítica y Fisicoquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de General Sarmiento. Instituto de Ciencias; ArgentinaFil: Zelcer, Andrés. Universidad de Buenos Aires. Facultad de Farmacia y Bioquímica. Departamento de Química Analítica y Fisicoquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Garland, Maria Teresa. Universidad de Chile; ChileFil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; ArgentinaInternational Union of Crystallography2008-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/102969Cukiernik, Fabio Daniel; Zelcer, Andrés; Garland, Maria Teresa; Baggio, Ricardo Fortunato; Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzene; International Union of Crystallography; Acta Crystallographica Section C-Crystal Structure Communications; 64; 11; 10-2008; o604-o6080108-2701CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S010827010803309Xinfo:eu-repo/semantics/altIdentifier/doi/10.1107/S010827010803309Xinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2024-05-08T13:48:56Zoai:ri.conicet.gov.ar:11336/102969instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982024-05-08 13:48:56.813CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzene
title Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzene
spellingShingle Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzene
Cukiernik, Fabio Daniel
Halogen bonding
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
title_short Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzene
title_full Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzene
title_fullStr Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzene
title_full_unstemmed Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzene
title_sort Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzene
dc.creator.none.fl_str_mv Cukiernik, Fabio Daniel
Zelcer, Andrés
Garland, Maria Teresa
Baggio, Ricardo Fortunato
author Cukiernik, Fabio Daniel
author_facet Cukiernik, Fabio Daniel
Zelcer, Andrés
Garland, Maria Teresa
Baggio, Ricardo Fortunato
author_role author
author2 Zelcer, Andrés
Garland, Maria Teresa
Baggio, Ricardo Fortunato
author2_role author
author
author
dc.subject.none.fl_str_mv Halogen bonding
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
topic Halogen bonding
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
description An interesting case of ‘halogen-bonding-promoted’ crystal structure architecture is presented. The two title compounds, C8H8Br2O2 and C8H8I2O2, have almost indistinguishable molecular structures but very different spatial organization, and this is mainly due to differences in the halogen-bonding interactions in which the different species present, i.e. Br and I, take part. The dibromo structure exhibits a Pi-bonded columnar array involving all four independent molecules in the asymmetric unit, with intercolumnar interactions governed by C—Br...Br—C links and with no C—Br...O/N interactions present. In the diiodo structure, instead, the C—I...O synthon prevails, de.ning linear chains, in turn interlinked by C—I...I—C interactions.8H8Br2O2 and C8H8I2O2, have almost indistinguishable molecular structures but very different spatial organization, and this is mainly due to differences in the halogen-bonding interactions in which the different species present, i.e. Br and I, take part. The dibromo structure exhibits a Pi-bonded columnar array involving all four independent molecules in the asymmetric unit, with intercolumnar interactions governed by C—Br...Br—C links and with no C—Br...O/N interactions present. In the diiodo structure, instead, the C—I...O synthon prevails, de.ning linear chains, in turn interlinked by C—I...I—C interactions.
publishDate 2008
dc.date.none.fl_str_mv 2008-10
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/11336/102969
Cukiernik, Fabio Daniel; Zelcer, Andrés; Garland, Maria Teresa; Baggio, Ricardo Fortunato; Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzene; International Union of Crystallography; Acta Crystallographica Section C-Crystal Structure Communications; 64; 11; 10-2008; o604-o608
0108-2701
CONICET Digital
CONICET
url http://hdl.handle.net/11336/102969
identifier_str_mv Cukiernik, Fabio Daniel; Zelcer, Andrés; Garland, Maria Teresa; Baggio, Ricardo Fortunato; Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzene; International Union of Crystallography; Acta Crystallographica Section C-Crystal Structure Communications; 64; 11; 10-2008; o604-o608
0108-2701
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S010827010803309X
info:eu-repo/semantics/altIdentifier/doi/10.1107/S010827010803309X
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv International Union of Crystallography
publisher.none.fl_str_mv International Union of Crystallography
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 15,812455

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