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Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of trans-diaqua[2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole]dithiocyanatonickel(II)
The reaction of 2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole (4-pox) and thiocyanate ions, used as co-ligand with nickel salt NiCl(2)·6H(2)O, produced the title complex, [Ni(NCS)(2)(C(12)H(8)N(4)O)(2)(H(2)O)(2)]. The Ni(II) atom is located on an inversion centre and is octahedrally coordinated by four...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6659318/ https://www.ncbi.nlm.nih.gov/pubmed/31392022 http://dx.doi.org/10.1107/S2056989019008727 |
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author | Rhoufal, Ferdaousse Bentiss, Fouad Guesmi, Salaheddine Ketatni, El Mostafa Saadi, Mohamed El Ammari, Lahcen |
author_facet | Rhoufal, Ferdaousse Bentiss, Fouad Guesmi, Salaheddine Ketatni, El Mostafa Saadi, Mohamed El Ammari, Lahcen |
author_sort | Rhoufal, Ferdaousse |
collection | PubMed |
description | The reaction of 2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole (4-pox) and thiocyanate ions, used as co-ligand with nickel salt NiCl(2)·6H(2)O, produced the title complex, [Ni(NCS)(2)(C(12)H(8)N(4)O)(2)(H(2)O)(2)]. The Ni(II) atom is located on an inversion centre and is octahedrally coordinated by four N atoms from two ligands and two pseudohalide ions, forming the equatorial plane. The axial positions are occupied by two O atoms of coordinated water molecules. In the crystal, the molecules are linked into a three-dimensional network through strong O—H⋯N hydrogen bonds. Hirshfeld surface analysis was used to investigate the intermolecular interactions in the crystal packing. |
format | Online Article Text |
id | pubmed-6659318 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-66593182019-08-07 Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of trans-diaqua[2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole]dithiocyanatonickel(II) Rhoufal, Ferdaousse Bentiss, Fouad Guesmi, Salaheddine Ketatni, El Mostafa Saadi, Mohamed El Ammari, Lahcen Acta Crystallogr E Crystallogr Commun Research Communications The reaction of 2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole (4-pox) and thiocyanate ions, used as co-ligand with nickel salt NiCl(2)·6H(2)O, produced the title complex, [Ni(NCS)(2)(C(12)H(8)N(4)O)(2)(H(2)O)(2)]. The Ni(II) atom is located on an inversion centre and is octahedrally coordinated by four N atoms from two ligands and two pseudohalide ions, forming the equatorial plane. The axial positions are occupied by two O atoms of coordinated water molecules. In the crystal, the molecules are linked into a three-dimensional network through strong O—H⋯N hydrogen bonds. Hirshfeld surface analysis was used to investigate the intermolecular interactions in the crystal packing. International Union of Crystallography 2019-06-21 /pmc/articles/PMC6659318/ /pubmed/31392022 http://dx.doi.org/10.1107/S2056989019008727 Text en © Rhoufal et al. 2019 http://creativecommons.org/licenses/by/4.0/ 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/4.0/ |
spellingShingle | Research Communications Rhoufal, Ferdaousse Bentiss, Fouad Guesmi, Salaheddine Ketatni, El Mostafa Saadi, Mohamed El Ammari, Lahcen Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of trans-diaqua[2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole]dithiocyanatonickel(II) |
title | Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of trans-diaqua[2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole]dithiocyanatonickel(II) |
title_full | Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of trans-diaqua[2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole]dithiocyanatonickel(II) |
title_fullStr | Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of trans-diaqua[2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole]dithiocyanatonickel(II) |
title_full_unstemmed | Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of trans-diaqua[2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole]dithiocyanatonickel(II) |
title_short | Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of trans-diaqua[2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole]dithiocyanatonickel(II) |
title_sort | crystal structure, spectroscopic characterization and hirshfeld surface analysis of trans-diaqua[2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole]dithiocyanatonickel(ii) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6659318/ https://www.ncbi.nlm.nih.gov/pubmed/31392022 http://dx.doi.org/10.1107/S2056989019008727 |
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