Crystal structure of N''-(2-eth-oxy-2-oxoeth-yl)-N,N,N',N'-tetra-methyl-N''-[3-(1,3,3-tri-methyl-ureido)prop-yl]guanidinium tetra-phenyl-borate

Acta Crystallogr E Crystallogr Commun. 2015 Dec 9;71(Pt 12):o1026-7. doi: 10.1107/S2056989015023142. eCollection 2015 Dec 1.

Abstract

In the title salt, C16H34N5O3 (+)·C24H20B(-), the C-N bond lengths in the cation are 1.3368 (16), 1.3375 (18) and 1.3594 (17) 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 delocal-ized in the CN3 plane. In the crystal, weak C-H⋯O contacts are observed between neighbouring guanidinium ions and between guanidinium ions and tetra-phenyl-borate anions. In addition, C-H⋯π inter-actions involving guanidinium H atoms and aromatic rings of the anion are present. The phenyl rings form aromatic pockets, in which the cations are embedded. This leads to the formation of a two-dimensional supramolecular pattern along the ab plane.

Keywords: C—H⋯O contacts; C—H⋯π inter­actions; crystal structure; salt; tetra­phenyl­borate; ureido­alkyl­guanidinium.