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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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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 |
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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 |
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