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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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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 |
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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 |
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