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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.

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.

SUBMITTER: Tiritiris I

PROVIDER: S-EPMC4719960 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature

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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.

Tiritiris Ioannis I Kantlehner Willi W

Acta crystallographica. Section E, Crystallographic communications 20151209 Pt 12

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-actio ...[more]

PMID: 26870479

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