双[1-苯基-3-(1H-1,2,4-三唑-1-基-κN(4))丙-1-酮]双(硫氰酸根合-κN)铜(II)
Bis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-κN(4))propan-1-one]bis-(thio-cyanato-κN)copper(II).
作者信息
Cai Hua, Guo Ying, Li Jian-Gang
机构信息
College of Science, Civil Aviation University of China, Tianjin 300300, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):m1115. doi: 10.1107/S160053681203108X. Epub 2012 Jul 25.
The title compound, [Cu(NCS)(2)(C(11)H(11)N(3)O)(2)], contains two independent Cu(II) atoms. Each Cu(II) atom, lying on an inversion center, is coordinated by two N atoms from two NCS(-) anions and two N atoms from two monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in a distorted square-planar geometry. Two S atoms from adjacent mol-ecules occupy the axial positions with long Cu⋯S distances [3.0495 (10) and 3.1045 (9) Å] and complete the overall distorted octahedral coordination sphere. Weak inter-molecular C-H⋯O hydrogen bonds are present.
标题化合物[Cu(NCS)₂(C₁₁H₁₁N₃O)₂]包含两个独立的Cu(II)原子。每个位于对称中心的Cu(II)原子，通过两个NCS⁻阴离子中的两个N原子以及两个单齿1-苯基-3-(1H-1,2,4-三唑-1-基)丙-1-酮配体中的两个N原子，以扭曲的平面正方形几何构型配位。来自相邻分子的两个S原子占据轴向位置，Cu⋯S距离较长[3.0495 (10)和3.1045 (9) Å]，形成了整体扭曲的八面体配位球。存在弱的分子间C-H⋯O氢键。
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