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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...

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Autores principales: Kansiz, Sevgi, Golenya, Irina A., Dege, Necmi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
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.
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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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