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dc.contributor.author
Ramos Cairo, Raúl
dc.contributor.author
María Plutín, Ana
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Oscar Mocelo Castell, Raúl
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Castellano, Eduardo Ernesto
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Corrêa, Rodrigo S.
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Nossa González, Diana Lisseth
dc.contributor.author
Erben, Mauricio Federico
dc.contributor.author
Regina Cominetti, Marcia
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Morais Leite, Celisnolia
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Donizeth de Oliveira, Tamires
dc.contributor.author
Batista, Alzir A.
dc.date.available
2023-09-25T18:52:31Z
dc.date.issued
2022-08
dc.identifier.citation
Ramos Cairo, Raúl; María Plutín, Ana; Oscar Mocelo Castell, Raúl; Castellano, Eduardo Ernesto; Corrêa, Rodrigo S.; et al.; Dynamics of Formation of Binuclear Metal Complexes: A New Cu(I) Compound with N-(2-thiophenecarbonyl)-N’-(3-Cl, 4-F-phenyl)thiourea as Ligand; John Wiley & Sons Ltd; ChemistrySelect; 7; 29; 8-2022; 1-9
dc.identifier.uri
http://hdl.handle.net/11336/212971
dc.description.abstract
Herein we report the synthesis and characterization of a new copper(I) complex with triphenylphosphine (PPh3) and N-(2-thiophenecarbonyl)-N’-(3-Cl, 4-F-phenyl)thiourea (HL), as ligands. The complex was characterized by vibrational (FTIR and FT-Raman) and multinuclear (1H, 13C {1H}, 31P{1H}) NMR spectroscopies. The crystalline structure of the complex was determined by single-crystal X-ray diffraction, confirming that a neutral binuclear compound, identified as [Cu(PPh3)(L-κ2-N,μ-S)]2, was obtained. The anionic thiourea ligand coordinates to the metal through the sulfur and nitrogen atoms in an unusual bidentate κ2-N,μ-S coordination mode. The complex is a dimer sited on a crystallographic center of symmetry. Each Cu2(μ-S)2 cation bridges trough the sulfur atoms of two symmetry related thiourea moieties and is also coordinated to the nitrogen atom of the thiourea ligand and the phosphorus atom from PPh3 co-ligand, forming a slightly distorted tetrahedral geometry. An intramolecular N−H⋅⋅⋅O=C hydrogen bond is observed in the anionic ligand, forming a six-membered ring that stabilizes the N−H thioamide group. Hirshfeld surface analysis shows that the molecules are connected by weak intermolecular contacts C⋅⋅⋅C, H⋅⋅⋅C and H⋅⋅⋅H which add to the stability of the crystalline packing. The in vitro cytotoxicity study of the complex indicates that it is more active against human lung carcinoma cells (A549), when compared to the free ligand.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
John Wiley & Sons Ltd
dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
ACYLTHIOUREA LIGANDS
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BINUCLEAR CU(I) COMPLEX
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CRYSTAL STRUCTURES
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HIRSHFELD SURFACE ANALYSIS
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LUNG CANCER
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Química Inorgánica y Nuclear
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Ciencias Químicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Dynamics of Formation of Binuclear Metal Complexes: A New Cu(I) Compound with N-(2-thiophenecarbonyl)-N’-(3-Cl, 4-F-phenyl)thiourea as Ligand
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2023-07-07T19:09:32Z
dc.identifier.eissn
2365-6549
dc.journal.volume
7
dc.journal.number
29
dc.journal.pagination
1-9
dc.journal.pais
Reino Unido
dc.description.fil
Fil: Ramos Cairo, Raúl. Universidad de La Habana; Cuba
dc.description.fil
Fil: María Plutín, Ana. Universidad de La Habana; Cuba
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Fil: Oscar Mocelo Castell, Raúl. Universidad de La Habana; Cuba
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Fil: Castellano, Eduardo Ernesto. Universidade de Sao Paulo; Brasil
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Fil: Corrêa, Rodrigo S.. Universidade Federal de Ouro Preto; Brasil
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Fil: Nossa González, Diana Lisseth. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
dc.description.fil
Fil: Erben, Mauricio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Centro de Química Inorgánica "Dr. Pedro J. Aymonino". Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Centro de Química Inorgánica "Dr. Pedro J. Aymonino"; Argentina
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Fil: Regina Cominetti, Marcia. Universidade Federal do São Carlos; Brasil
dc.description.fil
Fil: Morais Leite, Celisnolia. Universidade Federal do São Carlos; Brasil
dc.description.fil
Fil: Donizeth de Oliveira, Tamires. Universidade Federal do São Carlos; Brasil
dc.description.fil
Fil: Batista, Alzir A.. Universidade Federal do São Carlos; Brasil
dc.journal.title
ChemistrySelect
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1002/slct.202202145
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/slct.202202145
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