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Crystal structure of an unknown solvate of bis-(tetra-n-butyl-ammonium) [N,N'-(4-tri-fluoro-methyl-1,2-phenyl-ene)bis-(oxamato)-κ(4) O,N,N',O']nickelate(II).

Eya'ane Meva F, Schaarschmidt D, Rüffer T - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The tetra-hedral ammonium cations and the anion are linked by weak inter-molecular C-H⋯O and C-H⋯F hydrogen-bonding inter-actions into a three-dimensional network.C71, 9-18] following unsuccessful attempts to model it as plausible solvent mol-ecule(s).The given chemical formula and other crystal data do not take into account the unknown solvent mol-ecule.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Pharmaceutical Sciences, Faculty of Medicine and Pharmaceutical Sciences, University of Douala, BP 2701, Cameroon.

ABSTRACT
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-tri-fluoro-methyl-1,2-phenyl-enebis(oxamate)], the Ni(2+) cation is coordinated by two deprotonated amido N atoms and two carboxyl-ate 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 mol-ecule, orientational disorder of the CF3 group is observed. The tetra-hedral ammonium cations and the anion are linked by weak inter-molecular C-H⋯O and C-H⋯F hydrogen-bonding inter-actions 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 mol-ecule(s). The given chemical formula and other crystal data do not take into account the unknown solvent mol-ecule.

No MeSH data available.


Related in: MedlinePlus

The mol­ecular components of (I) drawn with displacement ellipsoids at the 50% probability level. H atoms were omitted for clarity. Only one disordered part of the –CF3 group is shown. [Symmetry code: (A) −x + 2, y, −z + .]
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fig1: The mol­ecular components of (I) drawn with displacement ellipsoids at the 50% probability level. H atoms were omitted for clarity. Only one disordered part of the –CF3 group is shown. [Symmetry code: (A) −x + 2, y, −z + .]

Mentions: The asymmetric unit of compound (I) contains one [N(n-Bu)4]+ cation and half of the complex anion [Ni(topbo)]2– (Fig. 1 ▶). The anion possesses point-group symmetry 2. This imposes orientational disorder of the CF3 group, which lies on both sides of the twofold rotation axis with 0.5 occupancy. The anion is essentially planar (root-mean-square deviation 0.145 Å), the highest deviation from planarity being observed for C6 [0.440 (5) Å]. The Ni2+ cation is coordinated by two deprotonated amido N atoms and two carboxyl­ate O atoms, resulting in a slightly distorted square-planar coordination geometry. In agreement with related nickel compounds, the Ni—N bonds are significantly shorter than the Ni—O bonds, which is due to the stronger donicity of the amido nitro­gens (Fettouhi et al., 1996 ▶; Rüffer et al., 2007a ▶,b ▶, 2008 ▶; Abdulmalic et al., 2013 ▶; Milek et al., 2013 ▶). Compared to the respective nickel complex without the CF3 group (Abdulmalic et al., 2013 ▶), compound (I) exhibits longer Ni—N and Ni—O bonds. It is instructive to note that for other complexes, the presence of electron-withdrawing substituents at the benzene moiety, e.g. Cl, NO2, causes a shortening of the Ni—N and Ni—O bonds (Fettouhi et al., 1996 ▶; Rüffer et al., 2008 ▶).


Crystal structure of an unknown solvate of bis-(tetra-n-butyl-ammonium) [N,N'-(4-tri-fluoro-methyl-1,2-phenyl-ene)bis-(oxamato)-κ(4) O,N,N',O']nickelate(II).

Eya'ane Meva F, Schaarschmidt D, Rüffer T - Acta Crystallogr E Crystallogr Commun (2015)

The mol­ecular components of (I) drawn with displacement ellipsoids at the 50% probability level. H atoms were omitted for clarity. Only one disordered part of the –CF3 group is shown. [Symmetry code: (A) −x + 2, y, −z + .]
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4459374&req=5

fig1: The mol­ecular components of (I) drawn with displacement ellipsoids at the 50% probability level. H atoms were omitted for clarity. Only one disordered part of the –CF3 group is shown. [Symmetry code: (A) −x + 2, y, −z + .]
Mentions: The asymmetric unit of compound (I) contains one [N(n-Bu)4]+ cation and half of the complex anion [Ni(topbo)]2– (Fig. 1 ▶). The anion possesses point-group symmetry 2. This imposes orientational disorder of the CF3 group, which lies on both sides of the twofold rotation axis with 0.5 occupancy. The anion is essentially planar (root-mean-square deviation 0.145 Å), the highest deviation from planarity being observed for C6 [0.440 (5) Å]. The Ni2+ cation is coordinated by two deprotonated amido N atoms and two carboxyl­ate O atoms, resulting in a slightly distorted square-planar coordination geometry. In agreement with related nickel compounds, the Ni—N bonds are significantly shorter than the Ni—O bonds, which is due to the stronger donicity of the amido nitro­gens (Fettouhi et al., 1996 ▶; Rüffer et al., 2007a ▶,b ▶, 2008 ▶; Abdulmalic et al., 2013 ▶; Milek et al., 2013 ▶). Compared to the respective nickel complex without the CF3 group (Abdulmalic et al., 2013 ▶), compound (I) exhibits longer Ni—N and Ni—O bonds. It is instructive to note that for other complexes, the presence of electron-withdrawing substituents at the benzene moiety, e.g. Cl, NO2, causes a shortening of the Ni—N and Ni—O bonds (Fettouhi et al., 1996 ▶; Rüffer et al., 2008 ▶).

Bottom Line: The tetra-hedral ammonium cations and the anion are linked by weak inter-molecular C-H⋯O and C-H⋯F hydrogen-bonding inter-actions into a three-dimensional network.C71, 9-18] following unsuccessful attempts to model it as plausible solvent mol-ecule(s).The given chemical formula and other crystal data do not take into account the unknown solvent mol-ecule.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Pharmaceutical Sciences, Faculty of Medicine and Pharmaceutical Sciences, University of Douala, BP 2701, Cameroon.

ABSTRACT
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-tri-fluoro-methyl-1,2-phenyl-enebis(oxamate)], the Ni(2+) cation is coordinated by two deprotonated amido N atoms and two carboxyl-ate 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 mol-ecule, orientational disorder of the CF3 group is observed. The tetra-hedral ammonium cations and the anion are linked by weak inter-molecular C-H⋯O and C-H⋯F hydrogen-bonding inter-actions 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 mol-ecule(s). The given chemical formula and other crystal data do not take into account the unknown solvent mol-ecule.

No MeSH data available.


Related in: MedlinePlus