Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 3 (March 2013)


organic compounds



zl2531 scheme

Acta Cryst. (2013). E69, o337-o338    [ doi:10.1107/S1600536813003024 ]

N,N,N',N'-Tetramethyl-N''-[3-(trimethylazaniumyl)propyl]guanidinium bis(tetraphenylborate) acetone disolvate

I. Tiritiris

Abstract: In the title solvated salt, C11H28N42+·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 molecules. C-H...[pi] interactions are present between the guanidinium H atoms and the phenyl rings of both tetraphenylborate ions. The phenyl rings form aromatic pockets, in which the guanidinium ions are embedded.


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