A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π cont...

Autores
Granifo, Juan; Gaviño, Ruben; Freire Espeleta, Eleonora; Baggio, Ricardo Fortunato
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The novel 4′-[4-(pyrimidin-5-yl)phenyl]-4,4′:6′,2″-terpyridine (L1) ligand reacts with Zn(acac)2 (acac = acetylacetonato) to give the monomeric complex [Zn(acac)2(L1)2] (1) and the coordination polymer [Zn(acac)2(μ-L1)]n (2). The structure of 1 consists of a Zn(II) cation sitting on an inversion centre, surrounded by a slightly elongated octahedral environment, defined by two trans N(4-pyridyl) atoms from a pair of mondentate L1 ligands, and four O atoms from two chelating acac anions. The polymeric structure of 2 presents a similar though non-symmetric Zn(acac)2 unit, since the two coordinated N atoms come from two different donor moieties of L1: the 4-pyridyl and the pyrimidinyl. Both compounds present weak C–H⋯N contacts generating 2D aromatic structures, complemented by π⋯π contacts plane-stacking giving raise to 3D structures and further stabilized by C–H⋯O and C–H⋯π interactions.
Fil: Granifo, Juan. Universidad de La Frontera. Facultad de Ingeniería y Ciencias. Departamento de Ciencias Químicas y Recursos Naturales; Chile
Fil: Gaviño, Ruben. Universidad Nacional Autónoma de México; México
Fil: Freire Espeleta, Eleonora. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Departamento de Física; Argentina
Fil: Baggio, Ricardo Fortunato. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Departamento de Física; Argentina
Materia
Acetilacetonato
Zn(Ii) Complexes
Crystal Structures
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/32675

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network_name_str CONICET Digital (CONICET)
spelling A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bondsGranifo, JuanGaviño, RubenFreire Espeleta, EleonoraBaggio, Ricardo FortunatoAcetilacetonatoZn(Ii) ComplexesCrystal Structureshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The novel 4′-[4-(pyrimidin-5-yl)phenyl]-4,4′:6′,2″-terpyridine (L1) ligand reacts with Zn(acac)2 (acac = acetylacetonato) to give the monomeric complex [Zn(acac)2(L1)2] (1) and the coordination polymer [Zn(acac)2(μ-L1)]n (2). The structure of 1 consists of a Zn(II) cation sitting on an inversion centre, surrounded by a slightly elongated octahedral environment, defined by two trans N(4-pyridyl) atoms from a pair of mondentate L1 ligands, and four O atoms from two chelating acac anions. The polymeric structure of 2 presents a similar though non-symmetric Zn(acac)2 unit, since the two coordinated N atoms come from two different donor moieties of L1: the 4-pyridyl and the pyrimidinyl. Both compounds present weak C–H⋯N contacts generating 2D aromatic structures, complemented by π⋯π contacts plane-stacking giving raise to 3D structures and further stabilized by C–H⋯O and C–H⋯π interactions.Fil: Granifo, Juan. Universidad de La Frontera. Facultad de Ingeniería y Ciencias. Departamento de Ciencias Químicas y Recursos Naturales; ChileFil: Gaviño, Ruben. Universidad Nacional Autónoma de México; MéxicoFil: Freire Espeleta, Eleonora. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Departamento de Física; ArgentinaFil: Baggio, Ricardo Fortunato. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Departamento de Física; ArgentinaElsevier Science2014-01info: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/11336/32675Baggio, Ricardo Fortunato; Freire Espeleta, Eleonora; Gaviño, Ruben; Granifo, Juan; A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds; Elsevier Science; Journal of Molecular Structure; 1063; 1-2014; 102-1080022-2860CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0022286014001148info:eu-repo/semantics/altIdentifier/doi/10.1016/j.molstruc.2014.01.053info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:36:59Zoai:ri.conicet.gov.ar:11336/32675instacron: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:34982025-09-29 09:36:59.789CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds
title A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds
spellingShingle A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds
Granifo, Juan
Acetilacetonato
Zn(Ii) Complexes
Crystal Structures
title_short A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds
title_full A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds
title_fullStr A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds
title_full_unstemmed A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds
title_sort A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds
dc.creator.none.fl_str_mv Granifo, Juan
Gaviño, Ruben
Freire Espeleta, Eleonora
Baggio, Ricardo Fortunato
author Granifo, Juan
author_facet Granifo, Juan
Gaviño, Ruben
Freire Espeleta, Eleonora
Baggio, Ricardo Fortunato
author_role author
author2 Gaviño, Ruben
Freire Espeleta, Eleonora
Baggio, Ricardo Fortunato
author2_role author
author
author
dc.subject.none.fl_str_mv Acetilacetonato
Zn(Ii) Complexes
Crystal Structures
topic Acetilacetonato
Zn(Ii) Complexes
Crystal Structures
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 novel 4′-[4-(pyrimidin-5-yl)phenyl]-4,4′:6′,2″-terpyridine (L1) ligand reacts with Zn(acac)2 (acac = acetylacetonato) to give the monomeric complex [Zn(acac)2(L1)2] (1) and the coordination polymer [Zn(acac)2(μ-L1)]n (2). The structure of 1 consists of a Zn(II) cation sitting on an inversion centre, surrounded by a slightly elongated octahedral environment, defined by two trans N(4-pyridyl) atoms from a pair of mondentate L1 ligands, and four O atoms from two chelating acac anions. The polymeric structure of 2 presents a similar though non-symmetric Zn(acac)2 unit, since the two coordinated N atoms come from two different donor moieties of L1: the 4-pyridyl and the pyrimidinyl. Both compounds present weak C–H⋯N contacts generating 2D aromatic structures, complemented by π⋯π contacts plane-stacking giving raise to 3D structures and further stabilized by C–H⋯O and C–H⋯π interactions.
Fil: Granifo, Juan. Universidad de La Frontera. Facultad de Ingeniería y Ciencias. Departamento de Ciencias Químicas y Recursos Naturales; Chile
Fil: Gaviño, Ruben. Universidad Nacional Autónoma de México; México
Fil: Freire Espeleta, Eleonora. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Departamento de Física; Argentina
Fil: Baggio, Ricardo Fortunato. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Departamento de Física; Argentina
description The novel 4′-[4-(pyrimidin-5-yl)phenyl]-4,4′:6′,2″-terpyridine (L1) ligand reacts with Zn(acac)2 (acac = acetylacetonato) to give the monomeric complex [Zn(acac)2(L1)2] (1) and the coordination polymer [Zn(acac)2(μ-L1)]n (2). The structure of 1 consists of a Zn(II) cation sitting on an inversion centre, surrounded by a slightly elongated octahedral environment, defined by two trans N(4-pyridyl) atoms from a pair of mondentate L1 ligands, and four O atoms from two chelating acac anions. The polymeric structure of 2 presents a similar though non-symmetric Zn(acac)2 unit, since the two coordinated N atoms come from two different donor moieties of L1: the 4-pyridyl and the pyrimidinyl. Both compounds present weak C–H⋯N contacts generating 2D aromatic structures, complemented by π⋯π contacts plane-stacking giving raise to 3D structures and further stabilized by C–H⋯O and C–H⋯π interactions.
publishDate 2014
dc.date.none.fl_str_mv 2014-01
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/11336/32675
Baggio, Ricardo Fortunato; Freire Espeleta, Eleonora; Gaviño, Ruben; Granifo, Juan; A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds; Elsevier Science; Journal of Molecular Structure; 1063; 1-2014; 102-108
0022-2860
CONICET Digital
CONICET
url http://hdl.handle.net/11336/32675
identifier_str_mv Baggio, Ricardo Fortunato; Freire Espeleta, Eleonora; Gaviño, Ruben; Granifo, Juan; A novel hybrid terpyridine–pyrimidine ligand and the supramolecular structures of two of its complexes with Zn(II) and acetylacetonato: The underlying role of non-covalent π⋯π contacts and C–H⋯X(O, N, π) hydrogen bonds; Elsevier Science; Journal of Molecular Structure; 1063; 1-2014; 102-108
0022-2860
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://www.sciencedirect.com/science/article/pii/S0022286014001148
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.molstruc.2014.01.053
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
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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