Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Rhoufal, Ferdaousse, Bentiss, Fouad, Guesmi, Salaheddine, Ketatni, El Mostafa, Saadi, Mohamed, El Ammari, Lahcen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
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
_version_ 1783439113345564672
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
work_keys_str_mv AT rhoufalferdaousse crystalstructurespectroscopiccharacterizationandhirshfeldsurfaceanalysisoftransdiaqua25bispyridin4yl134oxadiazoledithiocyanatonickelii
AT bentissfouad crystalstructurespectroscopiccharacterizationandhirshfeldsurfaceanalysisoftransdiaqua25bispyridin4yl134oxadiazoledithiocyanatonickelii
AT guesmisalaheddine crystalstructurespectroscopiccharacterizationandhirshfeldsurfaceanalysisoftransdiaqua25bispyridin4yl134oxadiazoledithiocyanatonickelii
AT ketatnielmostafa crystalstructurespectroscopiccharacterizationandhirshfeldsurfaceanalysisoftransdiaqua25bispyridin4yl134oxadiazoledithiocyanatonickelii
AT saadimohamed crystalstructurespectroscopiccharacterizationandhirshfeldsurfaceanalysisoftransdiaqua25bispyridin4yl134oxadiazoledithiocyanatonickelii
AT elammarilahcen crystalstructurespectroscopiccharacterizationandhirshfeldsurfaceanalysisoftransdiaqua25bispyridin4yl134oxadiazoledithiocyanatonickelii