一水合{4,4'-二甲基-2,2'-[2,2-二甲基丙烷-1,3-二亚基双(腈基亚甲基)]二酚根合}铜(II)
{4,4'-Dimethyl-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methanylyl-idene)]diphenolato}copper(II) monohydrate.
作者信息
Kargar Hadi, Kia Reza, Ganji Fatemeh, Mirkhani Valiollah
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):m1172. doi: 10.1107/S1600536812034502. Epub 2012 Aug 11.
The asymmetric unit of the title compound, [Cu(C(21)H(24)N(2)O(2))]·H(2)O, comprises half of a Schiff base complex and half of a water mol-ecule. The whole compound is generated by crystallographic twofold rotation symmetry. The geometry around the Cu(II) atom, located on a twofold axis, is distorted square-planar, which is supported by the N(2)O(2) donor atoms of the coordinating Schiff base ligand. The dihedral angle between the symmetry-related benzene rings is 47.5 (4)°. In the crystal, the water mol-ecule that is hydrogen bonded to the coordinated O atoms links the mol-ecules via O-H⋯O inter-actions into chains parallel to [001]. The crystal structure is further stabilized by C-H⋯π inter-actions, and by π-π inter-actions involving inversion-related chelate rings [centroid-centroid distance = 3.480 (4) Å].
标题化合物[Cu(C₂₁H₂₄N₂O₂)]·H₂O的不对称单元由半个席夫碱配合物和半个水分子组成。整个化合物通过晶体学二重旋转对称性产生。位于二重轴上的Cu(II)原子周围的几何构型为扭曲的平面正方形，这由配位席夫碱配体的N₂O₂供体原子所支撑。对称相关苯环之间的二面角为47.5 (4)°。在晶体中，与配位O原子形成氢键的水分子通过O—H⋯O相互作用将分子连接成平行于[001]的链。晶体结构通过C—H⋯π相互作用以及涉及反演相关螯合环的π—π相互作用[质心 - 质心距离 = 3.480 (4) Å]进一步稳定。
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