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Crystal structure of an unknown solvate of bis(tetra-n-butylammonium) [N,N′-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ(4) O,N,N′,O′]nickelate(II)
In the title compound, [N(C(4)H(9))(4)](2)[Ni(C(11)H(3)F(3)N(2)O(6))] or [N(n-Bu)(4)](2)[Ni(topbo)] [n-Bu = n-butyl and topbo = 4-trifluoromethyl-1,2-phenylenebis(oxamate)], the Ni(2+) cation is coordinated by two deprotonated amido N atoms and two carboxylate O atoms, setting up a slightly dist...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459374/ https://www.ncbi.nlm.nih.gov/pubmed/26090126 http://dx.doi.org/10.1107/S205698901500835X |
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author | Eya’ane Meva, François Schaarschmidt, Dieter Rüffer, Tobias |
author_facet | Eya’ane Meva, François Schaarschmidt, Dieter Rüffer, Tobias |
author_sort | Eya’ane Meva, François |
collection | PubMed |
description | In the title compound, [N(C(4)H(9))(4)](2)[Ni(C(11)H(3)F(3)N(2)O(6))] or [N(n-Bu)(4)](2)[Ni(topbo)] [n-Bu = n-butyl and topbo = 4-trifluoromethyl-1,2-phenylenebis(oxamate)], the Ni(2+) cation is coordinated by two deprotonated amido N atoms and two carboxylate O atoms, setting up a slightly distorted square-planar coordination environment. The [Ni(topbo](2−) anion lies on a twofold rotation axis. Due to an incompatibility with the point-group symmetry of the complete molecule, orientational disorder of the CF(3) group is observed. The tetrahedral ammonium cations and the anion are linked by weak intermolecular C—H⋯O and C—H⋯F hydrogen-bonding interactions into a three-dimensional network. A region of electron density was treated with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9–18] following unsuccessful attempts to model it as plausible solvent molecule(s). The given chemical formula and other crystal data do not take into account the unknown solvent molecule. |
format | Online Article Text |
id | pubmed-4459374 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-44593742015-06-18 Crystal structure of an unknown solvate of bis(tetra-n-butylammonium) [N,N′-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ(4) O,N,N′,O′]nickelate(II) Eya’ane Meva, François Schaarschmidt, Dieter Rüffer, Tobias Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, [N(C(4)H(9))(4)](2)[Ni(C(11)H(3)F(3)N(2)O(6))] or [N(n-Bu)(4)](2)[Ni(topbo)] [n-Bu = n-butyl and topbo = 4-trifluoromethyl-1,2-phenylenebis(oxamate)], the Ni(2+) cation is coordinated by two deprotonated amido N atoms and two carboxylate O atoms, setting up a slightly distorted square-planar coordination environment. The [Ni(topbo](2−) anion lies on a twofold rotation axis. Due to an incompatibility with the point-group symmetry of the complete molecule, orientational disorder of the CF(3) group is observed. The tetrahedral ammonium cations and the anion are linked by weak intermolecular C—H⋯O and C—H⋯F hydrogen-bonding interactions into a three-dimensional network. A region of electron density was treated with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9–18] following unsuccessful attempts to model it as plausible solvent molecule(s). The given chemical formula and other crystal data do not take into account the unknown solvent molecule. International Union of Crystallography 2015-05-07 /pmc/articles/PMC4459374/ /pubmed/26090126 http://dx.doi.org/10.1107/S205698901500835X Text en © Eya'ane Meva 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 | Research Communications Eya’ane Meva, François Schaarschmidt, Dieter Rüffer, Tobias Crystal structure of an unknown solvate of bis(tetra-n-butylammonium) [N,N′-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ(4) O,N,N′,O′]nickelate(II) |
title | Crystal structure of an unknown solvate of bis(tetra-n-butylammonium) [N,N′-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ(4)
O,N,N′,O′]nickelate(II) |
title_full | Crystal structure of an unknown solvate of bis(tetra-n-butylammonium) [N,N′-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ(4)
O,N,N′,O′]nickelate(II) |
title_fullStr | Crystal structure of an unknown solvate of bis(tetra-n-butylammonium) [N,N′-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ(4)
O,N,N′,O′]nickelate(II) |
title_full_unstemmed | Crystal structure of an unknown solvate of bis(tetra-n-butylammonium) [N,N′-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ(4)
O,N,N′,O′]nickelate(II) |
title_short | Crystal structure of an unknown solvate of bis(tetra-n-butylammonium) [N,N′-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ(4)
O,N,N′,O′]nickelate(II) |
title_sort | crystal structure of an unknown solvate of bis(tetra-n-butylammonium) [n,n′-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ(4)
o,n,n′,o′]nickelate(ii) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459374/ https://www.ncbi.nlm.nih.gov/pubmed/26090126 http://dx.doi.org/10.1107/S205698901500835X |
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