Tiritiris Ioannis
Fakultät Chemie/Organische Chemie, Hochschule Aalen, Beethovenstrasse 1, D-73430 Aalen, Germany.
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 1;69(Pt 3):o337-8. doi: 10.1107/S1600536813003024. Epub 2013 Feb 2.
In the title solvated salt, C11H28N4(2+)·2C24H20B(-)·2C3H6O, the C-N bond lengths in the central CN3 unit of the guanidinium ion are 1.3331 (16), 1.3407 (16) and 1.3454 (16) Å, indicating partial double-bond character in each. The central C atom is bonded to the three N atoms in a nearly ideal trigonal-planar geometry [N-C-N angles = 118.96 (11), 120.51 (12) and 120.53 (11)°] and the positive charge is delocalized in the CN3 plane. The bonds between the N atoms and the terminal C-methyl groups of the guanidinium moiety all have values close to a typical single bond [1.4601 (16)-1.4649 (16) Å]. In the crystal, the guanidinium ion is connected by N-H⋯O and C-H⋯O hydrogen bonds with the acetone mol-ecules. C-H⋯π inter-actions are present between the guanidinium H atoms and the phenyl rings of both tetra-phenyl-borate ions. The phenyl rings form aromatic pockets, in which the guanidinium ions are embedded.
在标题溶剂化盐C₁₁H₂₈N₄²⁺·2C₂₄H₂₀B⁻·2C₃H₆O中，胍离子中心CN₃单元中的C - N键长分别为1.3331 (16)、1.3407 (16)和1.3454 (16) Å，表明每个键都具有部分双键特征。中心C原子以接近理想的三角平面几何构型与三个N原子相连[N - C - N键角 = 118.96 (11)、120.51 (12)和120.53 (11)°]，正电荷在CN₃平面上离域。胍部分的N原子与末端C - 甲基之间的键长均接近典型单键的值[1.4601 (16) - 1.4649 (16) Å]。在晶体中，胍离子通过N - H⋯O和C - H⋯O氢键与丙酮分子相连。胍H原子与两个四苯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，胍离子嵌入其中。
