Reiss Guido J, Hegetschweiler Kaspar
Institut für Anorganische Chemie und Strukturchemie, Lehrstuhl II: Material- und Strukturforschung, Heinrich-Heine-Universität Düsseldorf, Universitätsstrasse 1, D-40225 Düsseldorf, Germany.
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 2;69(Pt 4):m185-6. doi: 10.1107/S1600536813005618. Print 2013 Apr 1.
In the structure of the title compound, {[Na(C6H15N3O3)]Br} n , the sodium cation and the bromide anion are both located on threefold rotation axes. The sodium cation is bonded to the three hy-droxy groups of one 1,3,5-triamino-1,3,5-tride-oxy-cis-inositol (taci) ligand, with the taci ligand residing around the same threefold rotation axis as the sodium ion. The coordination sphere of the sodium ion is completed by three amino groups of three neighbouring taci mol-ecules. Hence, this type of coordination constitutes a three-dimensional open framework with channels along the c axis which are filled with the bromide counter-anions. Each bromide ion forms three symmetry-related hydrogen bonds to both the hy-droxy and the amino groups of neighbouring taci ligands.
在标题化合物{[Na(C₆H₁₅N₃O₃)]Br}ₙ的结构中,钠离子和溴离子均位于三重旋转轴上。钠离子与一个1,3,5 - 三氨基 - 1,3,5 - 三脱氧 - 顺式 - 肌醇(taci)配体的三个羟基相连,taci配体与钠离子位于同一三重旋转轴周围。钠离子的配位球由三个相邻taci分子的三个氨基完成。因此,这种配位方式构成了一个沿c轴具有通道的三维开放框架,通道中填充着溴负离子。每个溴离子与相邻taci配体的羟基和氨基形成三个对称相关的氢键。