1-Benzyl-2-dimethyl-amino-3-methyl-3,4,5,6-tetra-hydro-pyrimidin-1-ium bromide.
Acta Crystallogr Sect E Struct Rep Online
; 68(Pt 8): o2308, 2012 Aug 01.
Article
en En
| MEDLINE
| ID: mdl-22904785
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 55.0â
(3)°. The C-N bond lengths in the central CN(3) unit are 1.333â
(4), 1.338â
(3) and 1.341â
(4)â
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 [1.453â
(4)-1.461â
(4)â
Å] are all close to a typical single C-N bond length.
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Acta Crystallogr Sect E Struct Rep Online
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2012
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Article