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

Autores
Cukiernik, Fabio Daniel; Zelcer, Andrés; Garland, Maria Teresa; Baggio, Ricardo Fortunato
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 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; Argentina
Fil: 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; Argentina
Fil: Garland, Maria Teresa. Universidad de Chile; Chile
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina
Materia
Halogen bonding
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/102969
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/102969
network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
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 Técnicas2025-09-03T09:53:44Zoai: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:34982025-09-03 09:53:45.122CONICET 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
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
topic Halogen bonding
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
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 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; Argentina
Fil: 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; Argentina
Fil: Garland, Maria Teresa. Universidad de Chile; Chile
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina
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
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
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 12.885934

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