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dc.contributor.author
Ramos Cairo, Raúl  
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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  
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Erben, Mauricio Federico  
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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  
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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  
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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  
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Fil: Morais Leite, Celisnolia. Universidade Federal do São Carlos; Brasil  
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Fil: Donizeth de Oliveira, Tamires. Universidade Federal do São Carlos; Brasil  
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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  
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info:eu-repo/semantics/altIdentifier/url/https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/slct.202202145