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N,N,N',N'-Tetra-methyl-N''-[3-(trimethyl-aza-nium-yl)prop-yl]guanidinium bis-(tetra-phenyl-borate) acetone disolvate.

ABSTRACT: 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?? 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.

SUBMITTER: Tiritiris I

PROVIDER: S-EPMC3588446 | biostudies-other | 2013 Mar

REPOSITORIES: biostudies-other

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N,N,N',N'-Tetra-methyl-N''-[3-(trimethyl-aza-nium-yl)prop-yl]guanidinium bis-(tetra-phenyl-borate) acetone disolvate.

Tiritiris Ioannis I

Acta crystallographica. Section E, Structure reports online 20130202 Pt 3

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 o ...[more]

PMID: 23476532

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