Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{ N -[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate

Autores
Molano, Miguel F.; Lorett Velasquez, Vaneza P.; Erben, Mauricio Federico; Nossa González, Diana Lisseth; Loaiza, Alix E.; Echeverría, Gustavo A.; Piro, Oscar Enrique; Tobón, Yeny A.; Ben Tayeb, Karima; Gómez Castaño, Jovanny A.
Año de publicación
2020
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The reaction of N-phenyl-1-(pyridin-2-yl)methanimine with copper chloride dihydrate produced the title neutral complex, [CuCl2(C12H10N2)(H2O)]H2O. The CuII ion is five-coordinated in a distorted square-pyramidal geometry, in which the two N atoms of the bidentate Schiff base, as well as one chloro and a water molecule, form the irregular base of the pyramidal structure. Meanwhile, the apical chloride ligand interacts through a strong hydrogen bond with a water molecule of crystallization. In the crystal, molecules are arranged in pairs, forming a stacking of symmetrical cyclic dimers that interact in turn through strong hydrogen bonds between the chloride ligands and both the coordinated and the crystallization water molecules. The molecular and electronic structures of the complex were also studied in detail using EPR (continuous and pulsed), FT?IR and Raman spectroscopy, as well as magnetization measurements. Likewise, Hirshfeld surface analysis was used to investigate the intermolecular interactions in the crystal packing.
Fil: Molano, Miguel F.. Universidad Pedagogica y Tecnológica de Colombia. Facultad de Ciencias; Colombia
Fil: Lorett Velasquez, Vaneza P.. Universidad Antonio Nari?o. Facultad de Ciencias; Colombia
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
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
Fil: Loaiza, Alix E.. Pontificia Universidad Javeriana; Colombia
Fil: Echeverría, Gustavo A.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina
Fil: Piro, Oscar Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina
Fil: Tobón, Yeny A.. University Of Lille.; Francia
Fil: Ben Tayeb, Karima. University Of Lille.; Francia
Fil: Gómez Castaño, Jovanny A.. Universidad Pedagogica y Tecnológica de Colombia. Facultad de Ciencias; Colombia
Materia
crystal structure
copper(II)
distorted square pyramid
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/238986
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/238986
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{ N -[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrateMolano, Miguel F.Lorett Velasquez, Vaneza P.Erben, Mauricio FedericoNossa González, Diana LissethLoaiza, Alix E.Echeverría, Gustavo A.Piro, Oscar EnriqueTobón, Yeny A.Ben Tayeb, KarimaGómez Castaño, Jovanny A.crystal structurecopper(II)distorted square pyramidhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The reaction of N-phenyl-1-(pyridin-2-yl)methanimine with copper chloride dihydrate produced the title neutral complex, [CuCl2(C12H10N2)(H2O)]H2O. The CuII ion is five-coordinated in a distorted square-pyramidal geometry, in which the two N atoms of the bidentate Schiff base, as well as one chloro and a water molecule, form the irregular base of the pyramidal structure. Meanwhile, the apical chloride ligand interacts through a strong hydrogen bond with a water molecule of crystallization. In the crystal, molecules are arranged in pairs, forming a stacking of symmetrical cyclic dimers that interact in turn through strong hydrogen bonds between the chloride ligands and both the coordinated and the crystallization water molecules. The molecular and electronic structures of the complex were also studied in detail using EPR (continuous and pulsed), FT?IR and Raman spectroscopy, as well as magnetization measurements. Likewise, Hirshfeld surface analysis was used to investigate the intermolecular interactions in the crystal packing.Fil: Molano, Miguel F.. Universidad Pedagogica y Tecnológica de Colombia. Facultad de Ciencias; ColombiaFil: Lorett Velasquez, Vaneza P.. Universidad Antonio Nari?o. Facultad de Ciencias; ColombiaFil: 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"; ArgentinaFil: 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"; ArgentinaFil: Loaiza, Alix E.. Pontificia Universidad Javeriana; ColombiaFil: Echeverría, Gustavo A.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; ArgentinaFil: Piro, Oscar Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; ArgentinaFil: Tobón, Yeny A.. University Of Lille.; FranciaFil: Ben Tayeb, Karima. University Of Lille.; FranciaFil: Gómez Castaño, Jovanny A.. Universidad Pedagogica y Tecnológica de Colombia. Facultad de Ciencias; ColombiaInternational Union of Crystallography2020-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/238986Molano, Miguel F.; Lorett Velasquez, Vaneza P.; Erben, Mauricio Federico; Nossa González, Diana Lisseth; Loaiza, Alix E.; et al.; Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{ N -[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate; International Union of Crystallography; Acta Crystallographica Section E: Crystallographic Communications; 76; 2; 1-2020; 148-1542056-9890CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S2056989019017213info:eu-repo/semantics/altIdentifier/doi/10.1107/S2056989019017213info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:52:10Zoai:ri.conicet.gov.ar:11336/238986instacron: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:34982025-10-15 14:52:10.529CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{ N -[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate
title Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{ N -[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate
spellingShingle Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{ N -[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate
Molano, Miguel F.
crystal structure
copper(II)
distorted square pyramid
title_short Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{ N -[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate
title_full Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{ N -[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate
title_fullStr Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{ N -[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate
title_full_unstemmed Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{ N -[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate
title_sort Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{ N -[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate
dc.creator.none.fl_str_mv Molano, Miguel F.
Lorett Velasquez, Vaneza P.
Erben, Mauricio Federico
Nossa González, Diana Lisseth
Loaiza, Alix E.
Echeverría, Gustavo A.
Piro, Oscar Enrique
Tobón, Yeny A.
Ben Tayeb, Karima
Gómez Castaño, Jovanny A.
author Molano, Miguel F.
author_facet Molano, Miguel F.
Lorett Velasquez, Vaneza P.
Erben, Mauricio Federico
Nossa González, Diana Lisseth
Loaiza, Alix E.
Echeverría, Gustavo A.
Piro, Oscar Enrique
Tobón, Yeny A.
Ben Tayeb, Karima
Gómez Castaño, Jovanny A.
author_role author
author2 Lorett Velasquez, Vaneza P.
Erben, Mauricio Federico
Nossa González, Diana Lisseth
Loaiza, Alix E.
Echeverría, Gustavo A.
Piro, Oscar Enrique
Tobón, Yeny A.
Ben Tayeb, Karima
Gómez Castaño, Jovanny A.
author2_role author
author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv crystal structure
copper(II)
distorted square pyramid
topic crystal structure
copper(II)
distorted square pyramid
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The reaction of N-phenyl-1-(pyridin-2-yl)methanimine with copper chloride dihydrate produced the title neutral complex, [CuCl2(C12H10N2)(H2O)]H2O. The CuII ion is five-coordinated in a distorted square-pyramidal geometry, in which the two N atoms of the bidentate Schiff base, as well as one chloro and a water molecule, form the irregular base of the pyramidal structure. Meanwhile, the apical chloride ligand interacts through a strong hydrogen bond with a water molecule of crystallization. In the crystal, molecules are arranged in pairs, forming a stacking of symmetrical cyclic dimers that interact in turn through strong hydrogen bonds between the chloride ligands and both the coordinated and the crystallization water molecules. The molecular and electronic structures of the complex were also studied in detail using EPR (continuous and pulsed), FT?IR and Raman spectroscopy, as well as magnetization measurements. Likewise, Hirshfeld surface analysis was used to investigate the intermolecular interactions in the crystal packing.
Fil: Molano, Miguel F.. Universidad Pedagogica y Tecnológica de Colombia. Facultad de Ciencias; Colombia
Fil: Lorett Velasquez, Vaneza P.. Universidad Antonio Nari?o. Facultad de Ciencias; Colombia
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
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
Fil: Loaiza, Alix E.. Pontificia Universidad Javeriana; Colombia
Fil: Echeverría, Gustavo A.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina
Fil: Piro, Oscar Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina
Fil: Tobón, Yeny A.. University Of Lille.; Francia
Fil: Ben Tayeb, Karima. University Of Lille.; Francia
Fil: Gómez Castaño, Jovanny A.. Universidad Pedagogica y Tecnológica de Colombia. Facultad de Ciencias; Colombia
description The reaction of N-phenyl-1-(pyridin-2-yl)methanimine with copper chloride dihydrate produced the title neutral complex, [CuCl2(C12H10N2)(H2O)]H2O. The CuII ion is five-coordinated in a distorted square-pyramidal geometry, in which the two N atoms of the bidentate Schiff base, as well as one chloro and a water molecule, form the irregular base of the pyramidal structure. Meanwhile, the apical chloride ligand interacts through a strong hydrogen bond with a water molecule of crystallization. In the crystal, molecules are arranged in pairs, forming a stacking of symmetrical cyclic dimers that interact in turn through strong hydrogen bonds between the chloride ligands and both the coordinated and the crystallization water molecules. The molecular and electronic structures of the complex were also studied in detail using EPR (continuous and pulsed), FT?IR and Raman spectroscopy, as well as magnetization measurements. Likewise, Hirshfeld surface analysis was used to investigate the intermolecular interactions in the crystal packing.
publishDate 2020
dc.date.none.fl_str_mv 2020-01
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/11336/238986
Molano, Miguel F.; Lorett Velasquez, Vaneza P.; Erben, Mauricio Federico; Nossa González, Diana Lisseth; Loaiza, Alix E.; et al.; Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{ N -[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate; International Union of Crystallography; Acta Crystallographica Section E: Crystallographic Communications; 76; 2; 1-2020; 148-154
2056-9890
CONICET Digital
CONICET
url http://hdl.handle.net/11336/238986
identifier_str_mv Molano, Miguel F.; Lorett Velasquez, Vaneza P.; Erben, Mauricio Federico; Nossa González, Diana Lisseth; Loaiza, Alix E.; et al.; Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of aquadichlorido{ N -[(pyridin-2-yl)methylidene]aniline}copper(II) monohydrate; International Union of Crystallography; Acta Crystallographica Section E: Crystallographic Communications; 76; 2; 1-2020; 148-154
2056-9890
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://scripts.iucr.org/cgi-bin/paper?S2056989019017213
info:eu-repo/semantics/altIdentifier/doi/10.1107/S2056989019017213
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv International Union of Crystallography
publisher.none.fl_str_mv International Union of Crystallography
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 13.22299

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