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Crystal structure and Hirshfeld surface analysis of tetraaquabis(isonicotinamide-κN (1))nickel(II) fumarate
The reaction of NiCl(2) with fumaric acid and isonicotinamide in a basic solution produces the title complex, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(4)H(2)O(4)). The nickel(II) ion of the complex cation and the fumarate anion are each located on an inversion centre. The Ni(II) ion is coordinated octahe...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218910/ https://www.ncbi.nlm.nih.gov/pubmed/30443375 http://dx.doi.org/10.1107/S2056989018013580 |
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author | Kansiz, Sevgi Golenya, Irina A. Dege, Necmi |
author_facet | Kansiz, Sevgi Golenya, Irina A. Dege, Necmi |
author_sort | Kansiz, Sevgi |
collection | PubMed |
description | The reaction of NiCl(2) with fumaric acid and isonicotinamide in a basic solution produces the title complex, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(4)H(2)O(4)). The nickel(II) ion of the complex cation and the fumarate anion are each located on an inversion centre. The Ni(II) ion is coordinated octahedrally by four water O atoms and two N atoms of isonicotinamide molecules. The fumarate anion is linked to neighbouring complex cations via O(water)—H⋯O(fumarate) hydrogen bonds. In the crystal, the complex cations are further linked by O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional supramolecular architecture. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to analyse the intermolecular interactions present in the crystal and indicate that the most important contributions for the crystal packing are from H⋯O/O⋯H (41.8%), H⋯H (35.3%) and H⋯C/C⋯H (10.2%) interactions. |
format | Online Article Text |
id | pubmed-6218910 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-62189102018-11-15 Crystal structure and Hirshfeld surface analysis of tetraaquabis(isonicotinamide-κN (1))nickel(II) fumarate Kansiz, Sevgi Golenya, Irina A. Dege, Necmi Acta Crystallogr E Crystallogr Commun Research Communications The reaction of NiCl(2) with fumaric acid and isonicotinamide in a basic solution produces the title complex, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(4)H(2)O(4)). The nickel(II) ion of the complex cation and the fumarate anion are each located on an inversion centre. The Ni(II) ion is coordinated octahedrally by four water O atoms and two N atoms of isonicotinamide molecules. The fumarate anion is linked to neighbouring complex cations via O(water)—H⋯O(fumarate) hydrogen bonds. In the crystal, the complex cations are further linked by O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional supramolecular architecture. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to analyse the intermolecular interactions present in the crystal and indicate that the most important contributions for the crystal packing are from H⋯O/O⋯H (41.8%), H⋯H (35.3%) and H⋯C/C⋯H (10.2%) interactions. International Union of Crystallography 2018-10-02 /pmc/articles/PMC6218910/ /pubmed/30443375 http://dx.doi.org/10.1107/S2056989018013580 Text en © Kansiz 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 Kansiz, Sevgi Golenya, Irina A. Dege, Necmi Crystal structure and Hirshfeld surface analysis of tetraaquabis(isonicotinamide-κN (1))nickel(II) fumarate |
title | Crystal structure and Hirshfeld surface analysis of tetraaquabis(isonicotinamide-κN
(1))nickel(II) fumarate |
title_full | Crystal structure and Hirshfeld surface analysis of tetraaquabis(isonicotinamide-κN
(1))nickel(II) fumarate |
title_fullStr | Crystal structure and Hirshfeld surface analysis of tetraaquabis(isonicotinamide-κN
(1))nickel(II) fumarate |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of tetraaquabis(isonicotinamide-κN
(1))nickel(II) fumarate |
title_short | Crystal structure and Hirshfeld surface analysis of tetraaquabis(isonicotinamide-κN
(1))nickel(II) fumarate |
title_sort | crystal structure and hirshfeld surface analysis of tetraaquabis(isonicotinamide-κn
(1))nickel(ii) fumarate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218910/ https://www.ncbi.nlm.nih.gov/pubmed/30443375 http://dx.doi.org/10.1107/S2056989018013580 |
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