Cargando…

Crystal structure of bis­(3-bromo­pyridine-κN)bis­(O-ethyl di­thio­carbonato-κ(2) S,S′)nickel(II)

In the title mol­ecular complex, [Ni(C(3)H(5)OS(2))(2)(C(5)H(4)BrN)(2)], the Ni(2+) cation is located on a centre of inversion and has a distorted octa­hedral N(2)S(4) environment defined by two chelating xanthate ligands and two monodentate pyridine ligands. The C—S bond lengths of the thio­carboxy...

Descripción completa

Detalles Bibliográficos
Autores principales: Kant, Rajni, Kour, Gurvinder, Anthal, Sumati, Neerupama, Sachar, Renu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331872/
https://www.ncbi.nlm.nih.gov/pubmed/25705471
http://dx.doi.org/10.1107/S2056989014027339
_version_ 1782357798512754688
author Kant, Rajni
Kour, Gurvinder
Anthal, Sumati
Neerupama,
Sachar, Renu
author_facet Kant, Rajni
Kour, Gurvinder
Anthal, Sumati
Neerupama,
Sachar, Renu
author_sort Kant, Rajni
collection PubMed
description In the title mol­ecular complex, [Ni(C(3)H(5)OS(2))(2)(C(5)H(4)BrN)(2)], the Ni(2+) cation is located on a centre of inversion and has a distorted octa­hedral N(2)S(4) environment defined by two chelating xanthate ligands and two monodentate pyridine ligands. The C—S bond lengths of the thio­carboxyl­ate group are indicative of a delocalized bond and the O—Csp (2) bond is considerably shorter than the O—Csp (3) bond, consistent with a significant contribution of one resonance form of the xanthate anion that features a formal C=O(+) unit and a negative charge on each of the S atoms. The packing of the mol­ecules is stabilized by C—H⋯S and C—H⋯π inter­actions. In addition, π–π inter­actions between the pyridine rings [centroid-to-centroid distance = 3.797 (3) Å] are also present. In the crystal structure, mol­ecules are arranged in rows along [100], forming layers parallel to (010) and (001).
format Online
Article
Text
id pubmed-4331872
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-43318722015-02-20 Crystal structure of bis­(3-bromo­pyridine-κN)bis­(O-ethyl di­thio­carbonato-κ(2) S,S′)nickel(II) Kant, Rajni Kour, Gurvinder Anthal, Sumati Neerupama, Sachar, Renu Acta Crystallogr E Crystallogr Commun Data Reports In the title mol­ecular complex, [Ni(C(3)H(5)OS(2))(2)(C(5)H(4)BrN)(2)], the Ni(2+) cation is located on a centre of inversion and has a distorted octa­hedral N(2)S(4) environment defined by two chelating xanthate ligands and two monodentate pyridine ligands. The C—S bond lengths of the thio­carboxyl­ate group are indicative of a delocalized bond and the O—Csp (2) bond is considerably shorter than the O—Csp (3) bond, consistent with a significant contribution of one resonance form of the xanthate anion that features a formal C=O(+) unit and a negative charge on each of the S atoms. The packing of the mol­ecules is stabilized by C—H⋯S and C—H⋯π inter­actions. In addition, π–π inter­actions between the pyridine rings [centroid-to-centroid distance = 3.797 (3) Å] are also present. In the crystal structure, mol­ecules are arranged in rows along [100], forming layers parallel to (010) and (001). International Union of Crystallography 2015-01-01 /pmc/articles/PMC4331872/ /pubmed/25705471 http://dx.doi.org/10.1107/S2056989014027339 Text en © Kant et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Kant, Rajni
Kour, Gurvinder
Anthal, Sumati
Neerupama,
Sachar, Renu
Crystal structure of bis­(3-bromo­pyridine-κN)bis­(O-ethyl di­thio­carbonato-κ(2) S,S′)nickel(II)
title Crystal structure of bis­(3-bromo­pyridine-κN)bis­(O-ethyl di­thio­carbonato-κ(2) S,S′)nickel(II)
title_full Crystal structure of bis­(3-bromo­pyridine-κN)bis­(O-ethyl di­thio­carbonato-κ(2) S,S′)nickel(II)
title_fullStr Crystal structure of bis­(3-bromo­pyridine-κN)bis­(O-ethyl di­thio­carbonato-κ(2) S,S′)nickel(II)
title_full_unstemmed Crystal structure of bis­(3-bromo­pyridine-κN)bis­(O-ethyl di­thio­carbonato-κ(2) S,S′)nickel(II)
title_short Crystal structure of bis­(3-bromo­pyridine-κN)bis­(O-ethyl di­thio­carbonato-κ(2) S,S′)nickel(II)
title_sort crystal structure of bis­(3-bromo­pyridine-κn)bis­(o-ethyl di­thio­carbonato-κ(2) s,s′)nickel(ii)
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331872/
https://www.ncbi.nlm.nih.gov/pubmed/25705471
http://dx.doi.org/10.1107/S2056989014027339
work_keys_str_mv AT kantrajni crystalstructureofbis3bromopyridineknbisoethyldithiocarbonatok2ssnickelii
AT kourgurvinder crystalstructureofbis3bromopyridineknbisoethyldithiocarbonatok2ssnickelii
AT anthalsumati crystalstructureofbis3bromopyridineknbisoethyldithiocarbonatok2ssnickelii
AT neerupama crystalstructureofbis3bromopyridineknbisoethyldithiocarbonatok2ssnickelii
AT sacharrenu crystalstructureofbis3bromopyridineknbisoethyldithiocarbonatok2ssnickelii