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N,N,N',N',N''-Penta-methyl-N''-[3-(tri-methyl-aza-nium-yl)prop-yl]guanidinium bis-(tetra-phenyl-borate).

ABSTRACT: In the crystal structure of the title salt, C(12)H(30)N(4) (2+)·2C(24)H(20)B(-), the C-N bond lengths in the central CN(3) unit of the guanidinium ion are 1.3388?(17), 1.3390?(16) and 1.3540?(17)?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 and the positive charge is delocalized in the CN(3) 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 [1.4630?(16)-1.4697?(17)?Å]. C-H?? inter-actions are present between the guanidinium H atoms and the phenyl C atoms of one tetra-phenyl-borate ion. The phenyl rings form a kind of aromatic pocket, in which the guanidinium ion is embedded.

SUBMITTER: Tiritiris I

PROVIDER: S-EPMC3569815 | biostudies-other | 2013 Feb

REPOSITORIES: biostudies-other

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N,N,N',N',N''-Penta-methyl-N''-[3-(tri-methyl-aza-nium-yl)prop-yl]guanidinium bis-(tetra-phenyl-borate).

Tiritiris Ioannis I

Acta crystallographica. Section E, Structure reports online 20130126 Pt 2

In the crystal structure of the title salt, C(12)H(30)N(4) (2+)·2C(24)H(20)B(-), the C-N bond lengths in the central CN(3) unit of the guanidinium ion are 1.3388 (17), 1.3390 (16) and 1.3540 (17) 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 and the positive charge is delocalized in the CN(3) plane. The bonds between the N atoms and the terminal C-methyl groups of the guanidinium moiety, all have ...[more]

PMID: 23424561

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