Bis(μ2-benzoato-κ2O,O′)bis­(benzoato-κO)bis(ethanol-κO)bis­(μ3-hydroxido)hexa­kis­(μ-pyrazol­ato-κ2N,N′)hexa­copper(II) ethanol disolvate

Trinuclear copper–pyrazolate entities are present in various Cu-based enzymes and nanojar supra­molecular arrangements. The reaction of copper(II) chloride with pyrazole (pzH) and sodium benzoate (benzNa) assisted by microwave radiation afforded a neutral centrosymmetric hexa­nuclear copper(II) comp...

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Detalhes bibliográficos
Autores: Ledezma Gairaud, Marisol, Pineda Cedeño, Leslie William
Formato: artículo
Fecha de publicación:2019
País:Costa Rica
Recursos:Universidad de Costa Rica
Repositorio:Kérwá
OAI Identifier:oai:kerwa.ucr.ac.cr:10669/81418
Acesso em linha:https://iucrdata.iucr.org/x/issues/2019/09/00/wm4113/index.html
https://hdl.handle.net/10669/81418
Access Level:acceso abierto
Palavra-chave:Síntesis asistida por microondas
Pirazolato
Cobre
Complejo trinuclear
Crystal structure
Carboxylate groups
Copper
Microwave-assisted synthesis
Pyrazolate
Trinuclear complex
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network_acronym_str CR
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repository_id_str
dc.title.es_ES.fl_str_mv Bis(μ2-benzoato-κ2O,O′)bis­(benzoato-κO)bis(ethanol-κO)bis­(μ3-hydroxido)hexa­kis­(μ-pyrazol­ato-κ2N,N′)hexa­copper(II) ethanol disolvate
title Bis(μ2-benzoato-κ2O,O′)bis­(benzoato-κO)bis(ethanol-κO)bis­(μ3-hydroxido)hexa­kis­(μ-pyrazol­ato-κ2N,N′)hexa­copper(II) ethanol disolvate
spellingShingle Bis(μ2-benzoato-κ2O,O′)bis­(benzoato-κO)bis(ethanol-κO)bis­(μ3-hydroxido)hexa­kis­(μ-pyrazol­ato-κ2N,N′)hexa­copper(II) ethanol disolvate
Ledezma Gairaud, Marisol
Síntesis asistida por microondas
Pirazolato
Cobre
Complejo trinuclear
Crystal structure
Carboxylate groups
Copper
Microwave-assisted synthesis
Pyrazolate
Trinuclear complex
title_short Bis(μ2-benzoato-κ2O,O′)bis­(benzoato-κO)bis(ethanol-κO)bis­(μ3-hydroxido)hexa­kis­(μ-pyrazol­ato-κ2N,N′)hexa­copper(II) ethanol disolvate
title_full Bis(μ2-benzoato-κ2O,O′)bis­(benzoato-κO)bis(ethanol-κO)bis­(μ3-hydroxido)hexa­kis­(μ-pyrazol­ato-κ2N,N′)hexa­copper(II) ethanol disolvate
title_fullStr Bis(μ2-benzoato-κ2O,O′)bis­(benzoato-κO)bis(ethanol-κO)bis­(μ3-hydroxido)hexa­kis­(μ-pyrazol­ato-κ2N,N′)hexa­copper(II) ethanol disolvate
title_full_unstemmed Bis(μ2-benzoato-κ2O,O′)bis­(benzoato-κO)bis(ethanol-κO)bis­(μ3-hydroxido)hexa­kis­(μ-pyrazol­ato-κ2N,N′)hexa­copper(II) ethanol disolvate
title_sort Bis(μ2-benzoato-κ2O,O′)bis­(benzoato-κO)bis(ethanol-κO)bis­(μ3-hydroxido)hexa­kis­(μ-pyrazol­ato-κ2N,N′)hexa­copper(II) ethanol disolvate
dc.creator.none.fl_str_mv Ledezma Gairaud, Marisol
Pineda Cedeño, Leslie William
author Ledezma Gairaud, Marisol
author_facet Ledezma Gairaud, Marisol
Pineda Cedeño, Leslie William
author_role author
author2 Pineda Cedeño, Leslie William
author2_role author
dc.subject.es_ES.fl_str_mv Síntesis asistida por microondas
Pirazolato
Cobre
Complejo trinuclear
Crystal structure
Carboxylate groups
Copper
Microwave-assisted synthesis
Pyrazolate
Trinuclear complex
topic Síntesis asistida por microondas
Pirazolato
Cobre
Complejo trinuclear
Crystal structure
Carboxylate groups
Copper
Microwave-assisted synthesis
Pyrazolate
Trinuclear complex
description Trinuclear copper–pyrazolate entities are present in various Cu-based enzymes and nanojar supra­molecular arrangements. The reaction of copper(II) chloride with pyrazole (pzH) and sodium benzoate (benzNa) assisted by microwave radiation afforded a neutral centrosymmetric hexa­nuclear copper(II) complex, [Cu6(C7H5O2)4(OH)2(C3H3N2)6(C2H5OH)2]·2C2H5OH. Half a mol­ecule is present in the asymmetric unit that comprises a [Cu3(μ3-OH)(pz)3]2+ core with the copper(II) atoms arranged in an irregular triangle. The three copper(II) atoms are bridged by an O atom of the central hydroxyl group and by three bridging pyrazolate ligands on each of the sides. The carboxyl­ate groups show a chelating mode to one and a bridging syn,syn mode to the other two CuII atoms. The coordination environment of one CuII atom is square-planar while it is distorted square-pyramidal for the other two. Two ethanol mol­ecules are present in the asymmetric unit, one binding to one of the CuII atoms, one as a solvent mol­ecule. In the crystal, stabilization arises from inter­molecular O—H⋯O hydrogen-bonding inter­actions.
publishDate 2019
dc.date.issued.none.fl_str_mv 2019
dc.date.accessioned.none.fl_str_mv 2020-08-06T19:56:58Z
dc.date.available.none.fl_str_mv 2020-08-06T19:56:58Z
dc.type.none.fl_str_mv artículo original
http://purl.org/coar/resource_type/c_2df8fbb1
info:eu-repo/semantics/article
format article
dc.identifier.citation.none.fl_str_mv https://iucrdata.iucr.org/x/issues/2019/09/00/wm4113/index.html
dc.identifier.issn.none.fl_str_mv 2414-3146
dc.identifier.uri.none.fl_str_mv https://hdl.handle.net/10669/81418
dc.identifier.doi.none.fl_str_mv 10.1107/S2414314619011908
url https://iucrdata.iucr.org/x/issues/2019/09/00/wm4113/index.html
https://hdl.handle.net/10669/81418
identifier_str_mv 2414-3146
10.1107/S2414314619011908
dc.language.iso.es_ES.fl_str_mv en_US
language_invalid_str_mv en_US
dc.rights.none.fl_str_mv acceso abierto
http://purl.org/coar/access_right/c_abf2
info:eu-repo/semantics/openAccess
rights_invalid_str_mv acceso abierto
http://purl.org/coar/access_right/c_abf2
eu_rights_str_mv openAccess
dc.source.es_ES.fl_str_mv IUCrData, vol.4(9), pp.1-4
dc.source.none.fl_str_mv reponame:Kérwá
instname:Universidad de Costa Rica
instacron:UCR
instname_str Universidad de Costa Rica
instacron_str UCR
institution UCR
reponame_str Kérwá
collection Kérwá
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spelling Ledezma Gairaud, Marisol809f43ca-eb62-42cd-ba60-585bbe8446caPineda Cedeño, Leslie William14e1df41-e2d8-4ff9-a824-2aea89143a5e6002020-08-06T19:56:58Z2020-08-06T19:56:58Z2019https://iucrdata.iucr.org/x/issues/2019/09/00/wm4113/index.html2414-3146https://hdl.handle.net/10669/8141810.1107/S2414314619011908Trinuclear copper–pyrazolate entities are present in various Cu-based enzymes and nanojar supra­molecular arrangements. The reaction of copper(II) chloride with pyrazole (pzH) and sodium benzoate (benzNa) assisted by microwave radiation afforded a neutral centrosymmetric hexa­nuclear copper(II) complex, [Cu6(C7H5O2)4(OH)2(C3H3N2)6(C2H5OH)2]·2C2H5OH. Half a mol­ecule is present in the asymmetric unit that comprises a [Cu3(μ3-OH)(pz)3]2+ core with the copper(II) atoms arranged in an irregular triangle. The three copper(II) atoms are bridged by an O atom of the central hydroxyl group and by three bridging pyrazolate ligands on each of the sides. The carboxyl­ate groups show a chelating mode to one and a bridging syn,syn mode to the other two CuII atoms. The coordination environment of one CuII atom is square-planar while it is distorted square-pyramidal for the other two. Two ethanol mol­ecules are present in the asymmetric unit, one binding to one of the CuII atoms, one as a solvent mol­ecule. In the crystal, stabilization arises from inter­molecular O—H⋯O hydrogen-bonding inter­actions.Universidad de Costa Rica/[]/UCR/Costa RicaUCR::Vicerrectoría de Investigación::Unidades de Investigación::Ciencias Básicas::Centro de Investigación en Electroquímica y Energía Química (CELEQ)UCR::Vicerrectoría de Docencia::Ciencias Básicas::Facultad de Ciencias::Escuela de Químicaen_USacceso abiertohttp://purl.org/coar/access_right/c_abf2info:eu-repo/semantics/openAccessIUCrData, vol.4(9), pp.1-4reponame:Kérwáinstname:Universidad de Costa Ricainstacron:UCRSíntesis asistida por microondasPirazolatoCobreComplejo trinuclearCrystal structureCarboxylate groupsCopperMicrowave-assisted synthesisPyrazolateTrinuclear complexBis(μ2-benzoato-κ2O,O′)bis­(benzoato-κO)bis(ethanol-κO)bis­(μ3-hydroxido)hexa­kis­(μ-pyrazol­ato-κ2N,N′)hexa­copper(II) ethanol disolvateartículo originalhttp://purl.org/coar/resource_type/c_2df8fbb1info:eu-repo/semantics/articleORIGINALtrinuclear copper pyrazolate.pdftrinuclear copper pyrazolate.pdfapplication/pdf750746https://www.kerwa.ucr.ac.cr/bitstreams/a66306a1-6e05-454a-bce5-adb6d8fc3aee/download32eefe9d2c912af686055f06a260f7a9MD51LICENSElicense.txtlicense.txttext/plain; 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