Cargando…
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...
Autores principales: | , , |
---|---|
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 |
_version_ | 1783353531472805888 |
---|---|
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. |
format | Online Article Text |
id | pubmed-6127707 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT kansizsevgi synthesiscrystalstructureandhirshfeldsurfaceanalysisofa1dcoordinationpolymercatenapolydiaquabisnicotinamidekn1nickeliimfumaratok2o1o4 AT degenecmi synthesiscrystalstructureandhirshfeldsurfaceanalysisofa1dcoordinationpolymercatenapolydiaquabisnicotinamidekn1nickeliimfumaratok2o1o4 AT kalibabchukvalentinaa synthesiscrystalstructureandhirshfeldsurfaceanalysisofa1dcoordinationpolymercatenapolydiaquabisnicotinamidekn1nickeliimfumaratok2o1o4 |