Hori Akiko, Nakajima Kyosuke, Yuge Hidetaka
School of Science, Kitasato University, Kitasato 1-15-1, Sagamihara, Kanagawa 228-8555, Japan.
Acta Crystallogr C Struct Chem. 2014 Oct;70(Pt 10):960-4. doi: 10.1107/S2053229614020294. Epub 2014 Sep 28.
The Cu(2+) ions in the title compounds, namely bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato-κ(2)O,O']copper(II) p-xylene n-solvate, [Cu(C15HF10O2)2]·nC8H10, with n = 1, (I), n = 2, (II), and n = 4, (III), are coordinated by two 1,3-bis(pentafluorophenyl)propane-1,3-dionate ligands. The coordination complexes of (I) and (II) have crystallographic inversion symmetry at the Cu atom and the p-xylene molecule in (I) also lies across an inversion centre. The p-xylene molecules in (I) and (II) interact with the pentafluorophenyl groups of the complex via arene-perfluoroarene interactions. In the crystal of (III), two of the p-xylene molecules interact with the pentafluorophenyl groups via arene-perfluoroarene interactions. The other two p-xylene molecules are located on the CuO4 coordination plane, forming a uniform cavity produced by metal···π interactions.
标题化合物中的铜(II)离子,即双[1,3 - 双(五氟苯基)丙烷 - 1,3 - 二酮 - κ(2)O,O']铜(II)对二甲苯正溶剂化物,[Cu(C15HF10O2)2]·nC8H10,其中n = 1,(I);n = 2,(II);n = 4,(III),由两个1,3 - 双(五氟苯基)丙烷 - 1,3 - 二酮配体配位。(I)和(II)的配位络合物在铜原子处具有晶体学反演对称性,并且(I)中的对二甲苯分子也位于一个反演中心上。(I)和(II)中的对二甲苯分子通过芳烃 - 全氟芳烃相互作用与络合物的五氟苯基相互作用。在(III)的晶体中,两个对二甲苯分子通过芳烃 - 全氟芳烃相互作用与五氟苯基相互作用。另外两个对二甲苯分子位于CuO4配位平面上,通过金属···π相互作用形成一个均匀的空腔。