Tiritiris Ioannis, Kantlehner Willi
Fakultät Chemie/Organische Chemie, Hochschule Aalen, Beethovenstrasse 1, D-73430 Aalen, Germany.
Acta Crystallogr E Crystallogr Commun. 2015 Dec 12;71(Pt 12):o1045-6. doi: 10.1107/S2056989015023336. eCollection 2015 Dec 1.
In the title salt, C15H36N6 (2+)·2C24H20B(-), the three N-C bond lengths in the central C3N unit of the bis-amidinium ion range between 1.388 (3) and 1.506 (3) Å, indicating single- and double-bond character. Furthermore, four C-N bonds have double-bond character. Here, the bond lengths range from 1.319 (3) to 1.333 (3) Å. Delocalization of the positive charges occurs in the N/C/N and C/N/C planes. The dihedral angle between both N/C/N planes is 70.5 (2)°. In the crystal, C-H⋯π inter-actions between H atoms of the cation and the benzene rings of both tetra-phenyl-borate ions are present. The benzene rings form aromatic pockets, in which the bis-amidinium ion is embedded. This leads to the formation of a two-dimensional supra-molecular pattern along the ab plane.
在标题盐C15H36N6(2+)·2C24H20B(-)中，双脒离子中心C3N单元中的三个N - C键长在1.388(3)至1.506(3)Å之间，表明具有单键和双键特征。此外，四个C - N键具有双键特征。此处，键长范围为1.319(3)至1.333(3)Å。正电荷在N/C/N和C/N/C平面中发生离域。两个N/C/N平面之间的二面角为70.5(2)°。在晶体中，阳离子的H原子与两个四苯基硼酸根离子的苯环之间存在C - H⋯π相互作用。苯环形成芳香口袋，双脒离子嵌入其中。这导致沿ab平面形成二维超分子图案。
