Abstract
In the title salt, [Ni(C12H14N6O)2](CF3SO3)2·2H2O, the NiII cation is located on an inversion centre and is coordinated by six N atoms from two tridentate 1-methoxy-2,2,2-tris(pyrazol-1-yl)ethane ligands in a distorted octahedral geometry. The Ni—N distances range from 2.0594 (12) to 2.0664 (12) Å, intra-ligand N—Ni—N angles range from 84.59 (5) to 86.06 (5)°, and adjacent inter-ligand N—Ni—N angles range between 93.94 (5) and 95.41 (5)°. In the crystal, inversion-related pyrazole rings are π–π stacked, with an interplanar spacing of 3.4494 (18) Å, forming chains that propagate parallel to the a-axis direction. Intermolecular O—H⋯O hydrogen bonds are present between water molecules and trifluoromethanesulfonate anions.
Highlights
In the title salt, [Ni(C12H14N6O)2](CF3SO3)2Á2H2O, the NiII cation is located on an inversion centre and is coordinated by six N atoms from two tridentate 1-methoxy-2,2,2-tris(pyrazol1-yl)ethane ligands in a distorted octahedral geometry
Intermolecular O—HÁ Á ÁO hydrogen bonds are present between water molecules and trifluoromethanesulfonate anions
The compound reported here was prepared as part of our ongoing research effort to study nitrogen-donor tridentate scorpionate ligands coordinated to nickel, see: Lyubartseva et al (2011, 2012); Lyubartseva & Parkin (2009)
Summary
Key indicators: single-crystal X-ray study; T = 90 K; mean (C–C) = 0.002 A; R factor = 0.029; wR factor = 0.072; data-to-parameter ratio = 15.4. In the title salt, [Ni(C12H14N6O)2](CF3SO3)2Á2H2O, the NiII cation is located on an inversion centre and is coordinated by six N atoms from two tridentate 1-methoxy-2,2,2-tris(pyrazol1-yl)ethane ligands in a distorted octahedral geometry. The Ni—N distances range from 2.0594 (12) to 2.0664 (12) A , intra-ligand N—Ni—N angles range from 84.59 (5) to 86.06 (5), and adjacent inter-ligand N—Ni—N angles range between 93.94 (5) and 95.41 (5). In the crystal, inversionrelated pyrazole rings are – stacked, with an interplanar spacing of 3.4494 (18) A , forming chains that propagate parallel to the a-axis direction. Intermolecular O—HÁ Á ÁO hydrogen bonds are present between water molecules and trifluoromethanesulfonate anions
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