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1-Benzyl-2-dimethyl-amino-3-methyl-3,4,5,6-tetra-hydro-pyrimidin-1-ium Bromide

1-Benzyl-2-dimethyl-amino-3-methyl-3,4,5,6-tetra-hydro-pyrimidin-1-ium Bromide

Ioannis Tiritiris, Willi Kantlehner

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2308.

PMID: 22904785

Abstract:

In the title molecular salt, C(14)H(22)N(3) (+)·Br(-), the ring incorporating the guanidinium grouping exhibits a half-chair conformation and the dihedral angle between the N-C-N and C-C-C planes is 55.0 (3)°. The C-N bond lengths in the central CN(3) unit are 1.333 (4), 1.338 (3) and 1.341 (4) 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 delocalized in the CN(3) plane. The distances between the N atom and the terminal methyl C atoms [1.453 (4)-1.461 (4) Å] are all close to a typical single C-N bond length.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP19244985	Guanidinium bromide		19244-98-5	Price

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