Cavallo Gabriella, Metrangolo Pierangelo, Pilati Tullio, Resnati Giuseppe, Ursini Maurizio, Terraneo Giancarlo
NFMLab, Department of Chemistry, Materials and Chemical Engineering, "Giulio Natta", Politecnico di Milano, Via Mancinelli, 7, I-20131 Milano, Italy.
Acta Crystallogr Sect E Struct Rep Online. 2013 Jun 15;69(Pt 7):m387-8. doi: 10.1107/S1600536813016085. eCollection 2013.
The title complex (CX1), [Na(C18H36N2O6)]I·1.5C2F4I2, is a three-component adduct containing a [2.2.2]-cryptand, sodium iodide and 1,1,2,2-tetra-fluoro-1,2-di-iodo-ethane. The di-iodo-ethane works as a bidentate halogen-bonding (XB) donor, the [2.2.2]-cryptand chelates the sodium cation, and the iodide counter-ion acts as a tridentate XB acceptor. A (6,3) network is formed in which iodide anions are the nodes and halocarbons the sides. The network symmetry is C 3i and the I⋯I(-) XB distance is 3.4492 (5) Å. This network is strongly deformed and wrinkled. It forms a layer 9.6686 (18) Å high and the inter-layer distance is 4.4889 (10) Å. The cations, inter-acting with each other via weak O⋯H hydrogen bonds, are confined between two anionic layers and also form a (6,3) net. The structure of CX1 is closely related to that of the KI homologue (CX2). The 1,1,2,2,-tetrafluoro-1,2-diiodoethane molecule is rotationally disordered around the I⋯I axis, resulting in an 1:1 disorder of the C2F4 moiety.
标题配合物（CX1），[Na(C18H36N2O6)]I·1.5C2F4I2，是一种三组分加合物，包含一个[2.2.2]穴醚、碘化钠和1,1,2,2-四氟-1,2-二碘乙烷。二碘乙烷作为双齿卤素键（XB）供体，[2.2.2]穴醚螯合钠离子，碘负离子作为三齿XB受体。形成了一个(6,3)网络，其中碘负离子为节点，卤代烃为边。网络对称性为C 3i，I⋯I(-) XB距离为3.4492 (5) Å。该网络严重变形且有褶皱。它形成了一个高9.6686 (18) Å的层，层间距离为4.4889 (10) Å。阳离子通过弱的O⋯H氢键相互作用，被限制在两个阴离子层之间，也形成一个(6,3)网络。CX1的结构与KI同系物（CX2）的结构密切相关。1,1,2,2-四氟-1,2-二碘乙烷分子围绕I⋯I轴旋转无序，导致C2F4部分出现1:1无序。
