Tiritiris Ioannis, Kantlehner Willi
Fakultät Chemie/Organische Chemie, Hochschule Aalen, Beethovenstrasse 1, D-73430 Aalen, Germany.
Acta Crystallogr E Crystallogr Commun. 2015 Dec 31;71(Pt 12):o1086-7. doi: 10.1107/S2056989015024639. eCollection 2015 Dec 1.
In the crystal structure of the title salt, C24H38N4 (2+)·2C24H20B(-), the C-N bond lengths in the central CN3 unit of the guanidinium ion are 1.3364 (13), 1.3407 (13) and 1.3539 (13) Å, indicating partial double-bond character. The central C atom is bonded to the three N atoms in a nearly ideal trigonal-planar geometry and the positive charge is delocalized in the CN3 plane. The bonds between the N atoms and the terminal methyl groups of the guanidinium moiety and the four C-N bonds to the central N atom of the (benzyl-dimethyl-aza-nium-yl)propyl group have single-bond character. In the crystal, C-H⋯π inter-actions between the guanidin-ium H atoms and the phenyl C atoms of the tetra-phenyl-borate ions are present, leading to the formation of a two-dimensional supra-molecular pattern parallel to the ac plane.
在标题盐C24H38N4(2+)·2C24H20B(-)的晶体结构中，胍离子中心CN3单元中的C-N键长分别为1.3364 (13)、1.3407 (13)和1.3539 (13) Å，表明具有部分双键特征。中心C原子以近乎理想的三角平面几何构型与三个N原子相连，正电荷在CN3平面上离域。胍部分的N原子与末端甲基之间的键以及与(苄基-二甲基-氮杂-鎓-基)丙基中心N原子的四个C-N键具有单键特征。在晶体中，胍H原子与四苯基硼酸根离子的苯基C原子之间存在C-H⋯π相互作用，导致形成平行于ac平面的二维超分子图案。
