Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydrate

Autores
Perec, Mireille; Baggio, Ricardo Fortunato
Año de publicación
2010
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In the monomeric title compound, [Cu(C4H4O 5)(C6H6N2O)(H2O)] ·1.5H2O, the CuII cation is bound in a square-pyramidal coordination to a tridentate oxydiacetate (ODA) ligand, a monodentate pyridine-3-carboxamide (p3ca) ligand and one aqua ligand, where the two organic ligands form the basal plane and the water O atom occupies the unique apical site. The ODA ligand presents a slight out-of-plane puckering in its central ether O atom, while the p3ca ligand is essentially planar. The availability of efficient donors and acceptors for hydrogen bonding results in the formation of strongly linked hydrogen-bonded bilayers parallel to (101), with an inter-planar distance of 3.18 (1) Å and a stacking separation between the bilayers of 3.10 (1) Å, both of them governed by extended π-π inter-actions. The disordered nature of the solvent water mol-ecules around inversion centres is discussed. The monoaqua compound is compared with the octa-hedral diaqua nalogue, [Cu(C4H4O 5)(C6H6N2O)(H2O) 2], eported recently [Perec & Baggio (2009). Acta Cryst. C65, m296-m298]. © 2010 International Union of Crystallography.
Fil: Perec, Mireille. 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
Crystal Structure
Carboxamides
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:11336/71894
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydratePerec, MireilleBaggio, Ricardo FortunatoCrystal StructureCarboxamideshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1In the monomeric title compound, [Cu(C4H4O 5)(C6H6N2O)(H2O)] ·1.5H2O, the CuII cation is bound in a square-pyramidal coordination to a tridentate oxydiacetate (ODA) ligand, a monodentate pyridine-3-carboxamide (p3ca) ligand and one aqua ligand, where the two organic ligands form the basal plane and the water O atom occupies the unique apical site. The ODA ligand presents a slight out-of-plane puckering in its central ether O atom, while the p3ca ligand is essentially planar. The availability of efficient donors and acceptors for hydrogen bonding results in the formation of strongly linked hydrogen-bonded bilayers parallel to (101), with an inter-planar distance of 3.18 (1) Å and a stacking separation between the bilayers of 3.10 (1) Å, both of them governed by extended π-π inter-actions. The disordered nature of the solvent water mol-ecules around inversion centres is discussed. The monoaqua compound is compared with the octa-hedral diaqua nalogue, [Cu(C4H4O 5)(C6H6N2O)(H2O) 2], eported recently [Perec & Baggio (2009). Acta Cryst. C65, m296-m298]. © 2010 International Union of Crystallography.Fil: Perec, Mireille. 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, Inc2010-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/71894Perec, Mireille; Baggio, Ricardo Fortunato; Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydrate; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section C-Crystal Structure Communications; 66; 11; 11-2010; 339-3420108-2701CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1107/S0108270110040989info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S0108270110040989info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:13:11Zoai:ri.conicet.gov.ar:11336/71894instacron: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:34982025-09-10 13:13:12.054CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydrate
title Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydrate
spellingShingle Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydrate
Perec, Mireille
Crystal Structure
Carboxamides
title_short Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydrate
title_full Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydrate
title_fullStr Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydrate
title_full_unstemmed Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydrate
title_sort Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydrate
dc.creator.none.fl_str_mv Perec, Mireille
Baggio, Ricardo Fortunato
author Perec, Mireille
author_facet Perec, Mireille
Baggio, Ricardo Fortunato
author_role author
author2 Baggio, Ricardo Fortunato
author2_role author
dc.subject.none.fl_str_mv Crystal Structure
Carboxamides
topic Crystal Structure
Carboxamides
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In the monomeric title compound, [Cu(C4H4O 5)(C6H6N2O)(H2O)] ·1.5H2O, the CuII cation is bound in a square-pyramidal coordination to a tridentate oxydiacetate (ODA) ligand, a monodentate pyridine-3-carboxamide (p3ca) ligand and one aqua ligand, where the two organic ligands form the basal plane and the water O atom occupies the unique apical site. The ODA ligand presents a slight out-of-plane puckering in its central ether O atom, while the p3ca ligand is essentially planar. The availability of efficient donors and acceptors for hydrogen bonding results in the formation of strongly linked hydrogen-bonded bilayers parallel to (101), with an inter-planar distance of 3.18 (1) Å and a stacking separation between the bilayers of 3.10 (1) Å, both of them governed by extended π-π inter-actions. The disordered nature of the solvent water mol-ecules around inversion centres is discussed. The monoaqua compound is compared with the octa-hedral diaqua nalogue, [Cu(C4H4O 5)(C6H6N2O)(H2O) 2], eported recently [Perec & Baggio (2009). Acta Cryst. C65, m296-m298]. © 2010 International Union of Crystallography.
Fil: Perec, Mireille. 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 In the monomeric title compound, [Cu(C4H4O 5)(C6H6N2O)(H2O)] ·1.5H2O, the CuII cation is bound in a square-pyramidal coordination to a tridentate oxydiacetate (ODA) ligand, a monodentate pyridine-3-carboxamide (p3ca) ligand and one aqua ligand, where the two organic ligands form the basal plane and the water O atom occupies the unique apical site. The ODA ligand presents a slight out-of-plane puckering in its central ether O atom, while the p3ca ligand is essentially planar. The availability of efficient donors and acceptors for hydrogen bonding results in the formation of strongly linked hydrogen-bonded bilayers parallel to (101), with an inter-planar distance of 3.18 (1) Å and a stacking separation between the bilayers of 3.10 (1) Å, both of them governed by extended π-π inter-actions. The disordered nature of the solvent water mol-ecules around inversion centres is discussed. The monoaqua compound is compared with the octa-hedral diaqua nalogue, [Cu(C4H4O 5)(C6H6N2O)(H2O) 2], eported recently [Perec & Baggio (2009). Acta Cryst. C65, m296-m298]. © 2010 International Union of Crystallography.
publishDate 2010
dc.date.none.fl_str_mv 2010-11
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/11336/71894
Perec, Mireille; Baggio, Ricardo Fortunato; Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydrate; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section C-Crystal Structure Communications; 66; 11; 11-2010; 339-342
0108-2701
CONICET Digital
CONICET
url http://hdl.handle.net/11336/71894
identifier_str_mv Perec, Mireille; Baggio, Ricardo Fortunato; Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydrate; Wiley Blackwell Publishing, Inc; Acta Crystallographica Section C-Crystal Structure Communications; 66; 11; 11-2010; 339-342
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/doi/10.1107/S0108270110040989
info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S0108270110040989
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 12.993085

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