Kargar Hadi, Kia Reza, Jamshidvand Arezoo, Fun Hoong-Kun
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 8;65(Pt 5):m498-9. doi: 10.1107/S1600536809012641.
In the title complex, [Ni(C(26)H(26)N(2)O(4))]·2H(2)O, the Ni(II) ion, lying on a twofold crystallographic rotation axis, has a square-planar geometry, being coordinated by the N(2)O(2) unit of the tetra-dentate Schiff base ligand. The asymmetric unit of the title compound comprises one-half of the complex mol-ecule and one of the water mol-ecules of crystallization. The water H atoms form bifurcated O-H⋯(O,O) hydrogen bonds with the O atoms of the phenolato and eth-oxy groups with R(1) (2)(5) and R(1) (2)(6) ring motifs. The dihedral angle between the central benzene ring and the two outer benzene rings are 4.07 (11) and 3.99 (12)°. The dihedral angle between the two O-Ni-N coordination planes is only 0.77 (11)°. In the crystal structure, the mol-ecules are linked together into extended chains along the c axis by inter-molecular O-H⋯O and C-H⋯O inter-actions. An inter-esting feature of the crystal structure is a short inter-molecular C ⋯ C [3.355 (3) Å] contact, which is shorter than the sum of the van der Waals radii. The crystal structure may be further stabilized by inter-molecular π-π inter-actions [centroid-centroid distances in the range 3.5758 (13)-3.6337 (13) Å].
在标题配合物[Ni(C₂₆H₂₆N₂O₄)]·2H₂O中，位于二重晶体学旋转轴上的Ni(II)离子具有平面正方形几何构型，由四齿席夫碱配体的N₂O₂单元配位。标题化合物的不对称单元包含半个配合物分子和一个结晶水分子。水分子的H原子与酚氧基和乙氧基的O原子形成分叉的O-H⋯(O,O)氢键，具有R(1) (2)(5)和R(1) (2)(6)环模式。中心苯环与两个外侧苯环之间的二面角分别为4.07 (11)°和3.99 (12)°。两个O-Ni-N配位平面之间的二面角仅为0.77 (11)°。在晶体结构中，分子通过分子间的O-H⋯O和C-H⋯O相互作用沿c轴连接成延伸链。晶体结构的一个有趣特征是分子间短的C⋯C [3.355 (3) Å]接触，其短于范德华半径之和。晶体结构可能通过分子间的π-π相互作用[质心-质心距离在3.5758 (13)-3.6337 (13) Å范围内]进一步稳定。
