Crystal structure of an unknown solvate of bis(tetra-n-butylammonium) [N,N′-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ4O,N,N′,O′]nickelate(II)
In the title compound, [N(C4H9)4]2[Ni(C11H3F3N2O6)] or [N(n-Bu)4]2[Ni(topbo)] [n-Bu = n-butyl and topbo = 4-trifluoromethyl-1,2-phenylenebis(oxamate)], the Ni2+ cation is coordinated by two deprotonated amido N atoms and two carboxylate O atoms, setting up a slightly distorted square-planar coordina...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2015-06-01
|
| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S205698901500835X |
| _version_ | 1819289121867169792 |
|---|---|
| author | François Eya'ane Meva Dieter Schaarschmidt Tobias Rüffer |
| author_facet | François Eya'ane Meva Dieter Schaarschmidt Tobias Rüffer |
| author_sort | François Eya'ane Meva |
| collection | DOAJ |
| description | In the title compound, [N(C4H9)4]2[Ni(C11H3F3N2O6)] or [N(n-Bu)4]2[Ni(topbo)] [n-Bu = n-butyl and topbo = 4-trifluoromethyl-1,2-phenylenebis(oxamate)], the Ni2+ 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 CF3 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. |
| first_indexed | 2024-12-24T03:01:49Z |
| format | Article |
| id | doaj.art-4e12790ca02c48e18fd47b64e7cd6828 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-24T03:01:49Z |
| publishDate | 2015-06-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-4e12790ca02c48e18fd47b64e7cd68282022-12-21T17:18:10ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-06-0171657858110.1107/S205698901500835Xwm5144Crystal structure of an unknown solvate of bis(tetra-n-butylammonium) [N,N′-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ4O,N,N′,O′]nickelate(II)François Eya'ane Meva0Dieter Schaarschmidt1Tobias Rüffer2Department of Pharmaceutical Sciences, Faculty of Medicine and Pharmaceutical Sciences, University of Douala, BP 2701, CameroonTechnische Universität Chemnitz, Faculty of Natural Sciences, Institute of Chemistry, Inorganic Chemistry, 09107 Chemnitz, GermanyTechnische Universität Chemnitz, Faculty of Natural Sciences, Institute of Chemistry, Inorganic Chemistry, 09107 Chemnitz, GermanyIn the title compound, [N(C4H9)4]2[Ni(C11H3F3N2O6)] or [N(n-Bu)4]2[Ni(topbo)] [n-Bu = n-butyl and topbo = 4-trifluoromethyl-1,2-phenylenebis(oxamate)], the Ni2+ 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 CF3 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.http://scripts.iucr.org/cgi-bin/paper?S205698901500835Xcrystal structurenickel(II)oxamate ligandnon-symmetric compounddisorderSQUEEZE procedure |
| spellingShingle | François Eya'ane Meva Dieter Schaarschmidt Tobias Rüffer Crystal structure of an unknown solvate of bis(tetra-n-butylammonium) [N,N′-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ4O,N,N′,O′]nickelate(II) Acta Crystallographica Section E: Crystallographic Communications crystal structure nickel(II) oxamate ligand non-symmetric compound disorder SQUEEZE procedure |
| title | Crystal structure of an unknown solvate of bis(tetra-n-butylammonium) [N,N′-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ4O,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)-κ4O,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)-κ4O,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)-κ4O,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)-κ4O,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 κ4o n n o nickelate ii |
| topic | crystal structure nickel(II) oxamate ligand non-symmetric compound disorder SQUEEZE procedure |
| url | http://scripts.iucr.org/cgi-bin/paper?S205698901500835X |
| work_keys_str_mv | AT francoiseyaanemeva crystalstructureofanunknownsolvateofbistetranbutylammoniumnn4trifluoromethyl12phenylenebisoxamatok4onnonickelateii AT dieterschaarschmidt crystalstructureofanunknownsolvateofbistetranbutylammoniumnn4trifluoromethyl12phenylenebisoxamatok4onnonickelateii AT tobiasruffer crystalstructureofanunknownsolvateofbistetranbutylammoniumnn4trifluoromethyl12phenylenebisoxamatok4onnonickelateii |