Bis(acetato-κ2 O,O')(4,4′-dimethyl-2,2′- bipyridine-κ2 N,N')zinc

Autores
Harvey, M.A.; Suarez, S.A.; Ibañez, A.; Doctorovich, F.; Baggio, R.
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The molecular structure of the title compound, [Zn(CH3COO) 2(C12H12N2)], consists of isolated molecules bisected by a twofold rotation axis which goes through the ZnII cation and halves the organic base through the central C-C bond. The Zn II ion is coordinated by two N atoms from one molecule of the aromatic base and four O atoms from two bidentate, symmetry-related acetate anions, which coordinate asymmetrically [Zn-O distances of 2.058(2) and 2.362(3)Å], while the two Zn-N bond distances are equal as imposed by symmetry [2.079(2)Å]. The crystal structure is supported by a number of weak C-H⋯O interactions and C-H⋯π contacts, with no π-π interactions present, mainly hindered by the substituent methyl groups and the relative molecular orientation. The result is a three-dimensional structure in which each molecule is linked to eight different neighbors.
Fil:Suarez, S.A. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.
Fil:Doctorovich, F. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.
Fuente
Acta Crystallogr. Sect. E Struct. Rep. Online 2012;68(11):m1377-m1378
Materia
data-to-parameter ratio = 14.6
mean ̄(C-C) = 0.004 Å
R factor = 0.026
single-crystal X-ray study
T = 295 K
wR factor = 0.068
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_16005368_v68_n11_pm1377_Harvey
Acceder
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oai_identifier_str paperaa:paper_16005368_v68_n11_pm1377_Harvey
network_acronym_str BDUBAFCEN
repository_id_str 1896
network_name_str Biblioteca Digital (UBA-FCEN)
spelling Bis(acetato-κ2 O,O')(4,4′-dimethyl-2,2′- bipyridine-κ2 N,N')zincHarvey, M.A.Suarez, S.A.Ibañez, A.Doctorovich, F.Baggio, R.data-to-parameter ratio = 14.6mean ̄(C-C) = 0.004 ÅR factor = 0.026single-crystal X-ray studyT = 295 KwR factor = 0.068The molecular structure of the title compound, [Zn(CH3COO) 2(C12H12N2)], consists of isolated molecules bisected by a twofold rotation axis which goes through the ZnII cation and halves the organic base through the central C-C bond. The Zn II ion is coordinated by two N atoms from one molecule of the aromatic base and four O atoms from two bidentate, symmetry-related acetate anions, which coordinate asymmetrically [Zn-O distances of 2.058(2) and 2.362(3)Å], while the two Zn-N bond distances are equal as imposed by symmetry [2.079(2)Å]. The crystal structure is supported by a number of weak C-H⋯O interactions and C-H⋯π contacts, with no π-π interactions present, mainly hindered by the substituent methyl groups and the relative molecular orientation. The result is a three-dimensional structure in which each molecule is linked to eight different neighbors.Fil:Suarez, S.A. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.Fil:Doctorovich, F. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.2012info: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_16005368_v68_n11_pm1377_HarveyActa Crystallogr. Sect. E Struct. Rep. Online 2012;68(11):m1377-m1378reponame: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/ar2025-11-06T09:39:43Zpaperaa:paper_16005368_v68_n11_pm1377_HarveyInstitucionalhttps://digital.bl.fcen.uba.ar/Universidad públicaNo correspondehttps://digital.bl.fcen.uba.ar/cgi-bin/oaiserver.cgiana@bl.fcen.uba.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:18962025-11-06 09:39:44.626Biblioteca Digital (UBA-FCEN) - Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturalesfalse
dc.title.none.fl_str_mv Bis(acetato-κ2 O,O')(4,4′-dimethyl-2,2′- bipyridine-κ2 N,N')zinc
title Bis(acetato-κ2 O,O')(4,4′-dimethyl-2,2′- bipyridine-κ2 N,N')zinc
spellingShingle Bis(acetato-κ2 O,O')(4,4′-dimethyl-2,2′- bipyridine-κ2 N,N')zinc
Harvey, M.A.
data-to-parameter ratio = 14.6
mean ̄(C-C) = 0.004 Å
R factor = 0.026
single-crystal X-ray study
T = 295 K
wR factor = 0.068
title_short Bis(acetato-κ2 O,O')(4,4′-dimethyl-2,2′- bipyridine-κ2 N,N')zinc
title_full Bis(acetato-κ2 O,O')(4,4′-dimethyl-2,2′- bipyridine-κ2 N,N')zinc
title_fullStr Bis(acetato-κ2 O,O')(4,4′-dimethyl-2,2′- bipyridine-κ2 N,N')zinc
title_full_unstemmed Bis(acetato-κ2 O,O')(4,4′-dimethyl-2,2′- bipyridine-κ2 N,N')zinc
title_sort Bis(acetato-κ2 O,O')(4,4′-dimethyl-2,2′- bipyridine-κ2 N,N')zinc
dc.creator.none.fl_str_mv Harvey, M.A.
Suarez, S.A.
Ibañez, A.
Doctorovich, F.
Baggio, R.
author Harvey, M.A.
author_facet Harvey, M.A.
Suarez, S.A.
Ibañez, A.
Doctorovich, F.
Baggio, R.
author_role author
author2 Suarez, S.A.
Ibañez, A.
Doctorovich, F.
Baggio, R.
author2_role author
author
author
author
dc.subject.none.fl_str_mv data-to-parameter ratio = 14.6
mean ̄(C-C) = 0.004 Å
R factor = 0.026
single-crystal X-ray study
T = 295 K
wR factor = 0.068
topic data-to-parameter ratio = 14.6
mean ̄(C-C) = 0.004 Å
R factor = 0.026
single-crystal X-ray study
T = 295 K
wR factor = 0.068
dc.description.none.fl_txt_mv The molecular structure of the title compound, [Zn(CH3COO) 2(C12H12N2)], consists of isolated molecules bisected by a twofold rotation axis which goes through the ZnII cation and halves the organic base through the central C-C bond. The Zn II ion is coordinated by two N atoms from one molecule of the aromatic base and four O atoms from two bidentate, symmetry-related acetate anions, which coordinate asymmetrically [Zn-O distances of 2.058(2) and 2.362(3)Å], while the two Zn-N bond distances are equal as imposed by symmetry [2.079(2)Å]. The crystal structure is supported by a number of weak C-H⋯O interactions and C-H⋯π contacts, with no π-π interactions present, mainly hindered by the substituent methyl groups and the relative molecular orientation. The result is a three-dimensional structure in which each molecule is linked to eight different neighbors.
Fil:Suarez, S.A. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.
Fil:Doctorovich, F. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.
description The molecular structure of the title compound, [Zn(CH3COO) 2(C12H12N2)], consists of isolated molecules bisected by a twofold rotation axis which goes through the ZnII cation and halves the organic base through the central C-C bond. The Zn II ion is coordinated by two N atoms from one molecule of the aromatic base and four O atoms from two bidentate, symmetry-related acetate anions, which coordinate asymmetrically [Zn-O distances of 2.058(2) and 2.362(3)Å], while the two Zn-N bond distances are equal as imposed by symmetry [2.079(2)Å]. The crystal structure is supported by a number of weak C-H⋯O interactions and C-H⋯π contacts, with no π-π interactions present, mainly hindered by the substituent methyl groups and the relative molecular orientation. The result is a three-dimensional structure in which each molecule is linked to eight different neighbors.
publishDate 2012
dc.date.none.fl_str_mv 2012
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_16005368_v68_n11_pm1377_Harvey
url http://hdl.handle.net/20.500.12110/paper_16005368_v68_n11_pm1377_Harvey
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. E Struct. Rep. Online 2012;68(11):m1377-m1378
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 12.976206

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