Cargando…

Crystal structure and Hirshfeld analysis of trans-bis­(5-fluoro­indoline-2,3-dione 3-oximato-κ(2) O (2),N (3))-trans-bis­(pyridine-κN)copper(II)

The reaction in methanol of Cu(II) acetate monohydrate with 5-fluoro­isatin 3-oxime deprotonated with KOH in a 1:2 molar ratio and recrystallization from pyridine yielded the title compound, [Cu(C(8)H(4)FN(2)O(2))(2)(C(5)H(5)N)(2)]. In the centrosymmetric complex, the anionic form of the isatin oxim...

Descripción completa

Detalles Bibliográficos
Autores principales: de Melo, Ana Paula Lopes, Bresolin, Leandro, Martins, Bianca Barreto, Gervini, Vanessa Carratu, de Oliveira, Adriano Bof
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5946960/
https://www.ncbi.nlm.nih.gov/pubmed/29765738
http://dx.doi.org/10.1107/S2056989018003365
_version_ 1783322274714091520
author de Melo, Ana Paula Lopes
Bresolin, Leandro
Martins, Bianca Barreto
Gervini, Vanessa Carratu
de Oliveira, Adriano Bof
author_facet de Melo, Ana Paula Lopes
Bresolin, Leandro
Martins, Bianca Barreto
Gervini, Vanessa Carratu
de Oliveira, Adriano Bof
author_sort de Melo, Ana Paula Lopes
collection PubMed
description The reaction in methanol of Cu(II) acetate monohydrate with 5-fluoro­isatin 3-oxime deprotonated with KOH in a 1:2 molar ratio and recrystallization from pyridine yielded the title compound, [Cu(C(8)H(4)FN(2)O(2))(2)(C(5)H(5)N)(2)]. In the centrosymmetric complex, the anionic form of the isatin oxime acts as a κ(2) N,O donor, building five-membered metallarings. The Cu(II) cation is sixfold coordinated in a slightly distorted octa­hedral environment by two trans, equatorial, anionic isatin derivatives and two trans pyridine ligands in axial positions. The complexes are linked by hydrogen bonding into a three-dimensional network, which is also stabilized by π–π stacking inter­actions [centroid-to-centroid distance = 3.7352 (9) Å] and C—H⋯π contacts. The Hirshfeld surface analysis indicates that the major contributions for the crystal packing are H⋯H (31.80%), H⋯C (24.30%), H⋯O (15.20%) and H⋯F (10.80%). This work is the second report in the literature of a crystal structure of a coordination compound with isatin 3-oxime ligands (coordination chemistry).
format Online
Article
Text
id pubmed-5946960
institution National Center for Biotechnology Information
language English
publishDate 2018
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-59469602018-05-15 Crystal structure and Hirshfeld analysis of trans-bis­(5-fluoro­indoline-2,3-dione 3-oximato-κ(2) O (2),N (3))-trans-bis­(pyridine-κN)copper(II) de Melo, Ana Paula Lopes Bresolin, Leandro Martins, Bianca Barreto Gervini, Vanessa Carratu de Oliveira, Adriano Bof Acta Crystallogr E Crystallogr Commun Research Communications The reaction in methanol of Cu(II) acetate monohydrate with 5-fluoro­isatin 3-oxime deprotonated with KOH in a 1:2 molar ratio and recrystallization from pyridine yielded the title compound, [Cu(C(8)H(4)FN(2)O(2))(2)(C(5)H(5)N)(2)]. In the centrosymmetric complex, the anionic form of the isatin oxime acts as a κ(2) N,O donor, building five-membered metallarings. The Cu(II) cation is sixfold coordinated in a slightly distorted octa­hedral environment by two trans, equatorial, anionic isatin derivatives and two trans pyridine ligands in axial positions. The complexes are linked by hydrogen bonding into a three-dimensional network, which is also stabilized by π–π stacking inter­actions [centroid-to-centroid distance = 3.7352 (9) Å] and C—H⋯π contacts. The Hirshfeld surface analysis indicates that the major contributions for the crystal packing are H⋯H (31.80%), H⋯C (24.30%), H⋯O (15.20%) and H⋯F (10.80%). This work is the second report in the literature of a crystal structure of a coordination compound with isatin 3-oxime ligands (coordination chemistry). International Union of Crystallography 2018-03-02 /pmc/articles/PMC5946960/ /pubmed/29765738 http://dx.doi.org/10.1107/S2056989018003365 Text en © Melo et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
de Melo, Ana Paula Lopes
Bresolin, Leandro
Martins, Bianca Barreto
Gervini, Vanessa Carratu
de Oliveira, Adriano Bof
Crystal structure and Hirshfeld analysis of trans-bis­(5-fluoro­indoline-2,3-dione 3-oximato-κ(2) O (2),N (3))-trans-bis­(pyridine-κN)copper(II)
title Crystal structure and Hirshfeld analysis of trans-bis­(5-fluoro­indoline-2,3-dione 3-oximato-κ(2) O (2),N (3))-trans-bis­(pyridine-κN)copper(II)
title_full Crystal structure and Hirshfeld analysis of trans-bis­(5-fluoro­indoline-2,3-dione 3-oximato-κ(2) O (2),N (3))-trans-bis­(pyridine-κN)copper(II)
title_fullStr Crystal structure and Hirshfeld analysis of trans-bis­(5-fluoro­indoline-2,3-dione 3-oximato-κ(2) O (2),N (3))-trans-bis­(pyridine-κN)copper(II)
title_full_unstemmed Crystal structure and Hirshfeld analysis of trans-bis­(5-fluoro­indoline-2,3-dione 3-oximato-κ(2) O (2),N (3))-trans-bis­(pyridine-κN)copper(II)
title_short Crystal structure and Hirshfeld analysis of trans-bis­(5-fluoro­indoline-2,3-dione 3-oximato-κ(2) O (2),N (3))-trans-bis­(pyridine-κN)copper(II)
title_sort crystal structure and hirshfeld analysis of trans-bis­(5-fluoro­indoline-2,3-dione 3-oximato-κ(2) o (2),n (3))-trans-bis­(pyridine-κn)copper(ii)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5946960/
https://www.ncbi.nlm.nih.gov/pubmed/29765738
http://dx.doi.org/10.1107/S2056989018003365
work_keys_str_mv AT demeloanapaulalopes crystalstructureandhirshfeldanalysisoftransbis5fluoroindoline23dione3oximatok2o2n3transbispyridinekncopperii
AT bresolinleandro crystalstructureandhirshfeldanalysisoftransbis5fluoroindoline23dione3oximatok2o2n3transbispyridinekncopperii
AT martinsbiancabarreto crystalstructureandhirshfeldanalysisoftransbis5fluoroindoline23dione3oximatok2o2n3transbispyridinekncopperii
AT gervinivanessacarratu crystalstructureandhirshfeldanalysisoftransbis5fluoroindoline23dione3oximatok2o2n3transbispyridinekncopperii
AT deoliveiraadrianobof crystalstructureandhirshfeldanalysisoftransbis5fluoroindoline23dione3oximatok2o2n3transbispyridinekncopperii