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

Autores
Harvey, Miguel Angel; Suarez, Sebastian; Ibañez, Andres; Doctorovich, Fabio; Baggio, Ricardo Fortunato
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: Harvey, Miguel Angel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Centro Nacional Patagónico; Argentina. Universidad Nacional de la Patagonia "San Juan Bosco"; Argentina
Fil: Suarez, Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Química Inorgánica, Analítica y Química Física; Argentina
Fil: Ibañez, Andres. Universidad de Chile; Chile
Fil: Doctorovich, Fabio. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Química Inorgánica, Analítica y Química Física; Argentina
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina
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
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:11336/83799
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/83799
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Bis(acetato-κ2 O,O')(4,4′-dimethyl-2,2′- bipyridine-κ2 N,N')zincHarvey, Miguel AngelSuarez, SebastianIbañez, AndresDoctorovich, FabioBaggio, Ricardo FortunatoData-To-Parameter Ratio = 14.6Mean ̄(C-C) = 0.004 ÅR Factor = 0.026Single-Crystal X-Ray StudyT = 295 KWr Factor = 0.068https://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The 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: Harvey, Miguel Angel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Centro Nacional Patagónico; Argentina. Universidad Nacional de la Patagonia "San Juan Bosco"; ArgentinaFil: Suarez, Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Química Inorgánica, Analítica y Química Física; ArgentinaFil: Ibañez, Andres. Universidad de Chile; ChileFil: Doctorovich, Fabio. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Química Inorgánica, Analítica y Química Física; ArgentinaFil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; ArgentinaWiley Blackwell Publishing, Inc2012-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/83799Harvey, Miguel Angel; Suarez, Sebastian; Ibañez, Andres; Doctorovich, Fabio; Baggio, Ricardo Fortunato; Bis(acetato-κ2 O,O')(4,4′-dimethyl-2,2′- bipyridine-κ2 N,N')zinc; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section E; 68; 11; 11-2012; 1-81600-5368CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1107/S1600536812042699info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S1600536812042699info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:58:46Zoai:ri.conicet.gov.ar:11336/83799instacron: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 09:58:46.422CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
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, Miguel Angel
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, Miguel Angel
Suarez, Sebastian
Ibañez, Andres
Doctorovich, Fabio
Baggio, Ricardo Fortunato
author Harvey, Miguel Angel
author_facet Harvey, Miguel Angel
Suarez, Sebastian
Ibañez, Andres
Doctorovich, Fabio
Baggio, Ricardo Fortunato
author_role author
author2 Suarez, Sebastian
Ibañez, Andres
Doctorovich, Fabio
Baggio, Ricardo Fortunato
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
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
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: Harvey, Miguel Angel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Centro Nacional Patagónico; Argentina. Universidad Nacional de la Patagonia "San Juan Bosco"; Argentina
Fil: Suarez, Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Química Inorgánica, Analítica y Química Física; Argentina
Fil: Ibañez, Andres. Universidad de Chile; Chile
Fil: Doctorovich, Fabio. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Química Inorgánica, Analítica y Química Física; Argentina
Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; 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 2012-11
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/11336/83799
Harvey, Miguel Angel; Suarez, Sebastian; Ibañez, Andres; Doctorovich, Fabio; Baggio, Ricardo Fortunato; Bis(acetato-κ2 O,O')(4,4′-dimethyl-2,2′- bipyridine-κ2 N,N')zinc; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section E; 68; 11; 11-2012; 1-8
1600-5368
CONICET Digital
CONICET
url http://hdl.handle.net/11336/83799
identifier_str_mv Harvey, Miguel Angel; Suarez, Sebastian; Ibañez, Andres; Doctorovich, Fabio; Baggio, Ricardo Fortunato; Bis(acetato-κ2 O,O')(4,4′-dimethyl-2,2′- bipyridine-κ2 N,N')zinc; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section E; 68; 11; 11-2012; 1-8
1600-5368
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1107/S1600536812042699
info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S1600536812042699
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
dc.publisher.none.fl_str_mv Wiley Blackwell Publishing, Inc
publisher.none.fl_str_mv Wiley Blackwell Publishing, Inc
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 13.13397

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