Lyubartseva Ganna, Parkin Sean, Mallik Uma Prasad
Department of Biochemistry, Chemistry and Physics, Southern Arkansas University, Magnolia, AR 71753, USA.
Acta Crystallogr Sect E Struct Rep Online. 2013 Sep 4;69(Pt 10):m532-3. doi: 10.1107/S1600536813024252. eCollection 2013.
In the title salt, Ni(C12H14N6O)22·2H2O, the Ni(II) cation is located on an inversion centre and is coordinated by six N atoms from two tridentate 1-meth-oxy-2,2,2-tris-(pyrazol-1-yl)ethane ligands in a distorted octa-hedral 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 inter-planar spacing of 3.4494 (18) Å, forming chains that propagate parallel to the a-axis direction. Inter-molecular O-H⋯O hydrogen bonds are present between water mol-ecules and tri-fluoro-methane-sulfonate anions.
在标题盐Ni(C₁₂H₁₄N₆O)₂₂·2H₂O中，Ni(II)阳离子位于一个对称中心上，由来自两个三齿1-甲氧基-2,2,2-三(吡唑-1-基)乙烷配体的六个N原子以扭曲的八面体几何构型配位。Ni-N距离在2.0594 (12)至2.0664 (12) Å之间，配体内N-Ni-N角在84.59 (5)至86.06 (5)°之间，相邻配体间N-Ni-N角在93.94 (5)至95.41 (5)°之间。在晶体中，与对称相关的吡唑环发生π-π堆积，平面间距为3.4494 (18) Å，形成平行于a轴方向延伸的链。水分子与三氟甲磺酸根阴离子之间存在分子间O-H⋯O氢键。
