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Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[di­aqua­bis­(nicotinamide-κN (1))nickel(II)]-μ-fumarato-κ(2) O (1):O (4)]

The reaction of NiCl(2) with fumaric acid and nicotinamide in basic solution produces the title polymeric complex, [Ni(C(4)H(2)O(4))(C(6)H(6)N(2)O)(2)(H(2)O)(2)](n). The Ni(II) cation, located on an inversion centre, is coordinated by two O atoms of the fumarate dianions, two N atoms from nicotinami...

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Autores principales: Kansiz, Sevgi, Dege, Necmi, Kalibabchuk, Valentina A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6127707/
https://www.ncbi.nlm.nih.gov/pubmed/30225113
http://dx.doi.org/10.1107/S2056989018011489
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author Kansiz, Sevgi
Dege, Necmi
Kalibabchuk, Valentina A.
author_facet Kansiz, Sevgi
Dege, Necmi
Kalibabchuk, Valentina A.
author_sort Kansiz, Sevgi
collection PubMed
description The reaction of NiCl(2) with fumaric acid and nicotinamide in basic solution produces the title polymeric complex, [Ni(C(4)H(2)O(4))(C(6)H(6)N(2)O)(2)(H(2)O)(2)](n). The Ni(II) cation, located on an inversion centre, is coordinated by two O atoms of the fumarate dianions, two N atoms from nicotinamide ligands and two water mol­ecules in a distorted octa­hedral fashion. In the crystal, the fumarate dianions bridge the Ni(II) cations, forming polymeric chains propagating along the [101] direction; the polymeric chains are further linked by O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional supra­molecular architecture. Hirshfeld surface analyses and two-dimensional fingerprint plots were used to analyse the inter­molecular inter­actions present in the crystal, indicating that the most important contributions for the crystal packing are from H⋯O/O⋯H (35.9%), H⋯H (31.7%) and C⋯C (10.4%) inter­actions.
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spelling pubmed-61277072018-09-17 Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[di­aqua­bis­(nicotinamide-κN (1))nickel(II)]-μ-fumarato-κ(2) O (1):O (4)] Kansiz, Sevgi Dege, Necmi Kalibabchuk, Valentina A. Acta Crystallogr E Crystallogr Commun Research Communications The reaction of NiCl(2) with fumaric acid and nicotinamide in basic solution produces the title polymeric complex, [Ni(C(4)H(2)O(4))(C(6)H(6)N(2)O)(2)(H(2)O)(2)](n). The Ni(II) cation, located on an inversion centre, is coordinated by two O atoms of the fumarate dianions, two N atoms from nicotinamide ligands and two water mol­ecules in a distorted octa­hedral fashion. In the crystal, the fumarate dianions bridge the Ni(II) cations, forming polymeric chains propagating along the [101] direction; the polymeric chains are further linked by O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional supra­molecular architecture. Hirshfeld surface analyses and two-dimensional fingerprint plots were used to analyse the inter­molecular inter­actions present in the crystal, indicating that the most important contributions for the crystal packing are from H⋯O/O⋯H (35.9%), H⋯H (31.7%) and C⋯C (10.4%) inter­actions. International Union of Crystallography 2018-08-16 /pmc/articles/PMC6127707/ /pubmed/30225113 http://dx.doi.org/10.1107/S2056989018011489 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
Dege, Necmi
Kalibabchuk, Valentina A.
Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[di­aqua­bis­(nicotinamide-κN (1))nickel(II)]-μ-fumarato-κ(2) O (1):O (4)]
title Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[di­aqua­bis­(nicotinamide-κN (1))nickel(II)]-μ-fumarato-κ(2) O (1):O (4)]
title_full Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[di­aqua­bis­(nicotinamide-κN (1))nickel(II)]-μ-fumarato-κ(2) O (1):O (4)]
title_fullStr Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[di­aqua­bis­(nicotinamide-κN (1))nickel(II)]-μ-fumarato-κ(2) O (1):O (4)]
title_full_unstemmed Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[di­aqua­bis­(nicotinamide-κN (1))nickel(II)]-μ-fumarato-κ(2) O (1):O (4)]
title_short Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[di­aqua­bis­(nicotinamide-κN (1))nickel(II)]-μ-fumarato-κ(2) O (1):O (4)]
title_sort synthesis, crystal structure and hirshfeld surface analysis of a 1d coordination polymer catena-poly[[di­aqua­bis­(nicotinamide-κn (1))nickel(ii)]-μ-fumarato-κ(2) o (1):o (4)]
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6127707/
https://www.ncbi.nlm.nih.gov/pubmed/30225113
http://dx.doi.org/10.1107/S2056989018011489
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