Acta Crystallographica Section E (Aug 2012)

1-Benzyl-2-dimethylamino-3-methyl-3,4,5,6-tetrahydropyrimidin-1-ium bromide

  • Ioannis Tiritiris,
  • Willi Kantlehner

DOI
https://doi.org/10.1107/s1600536812029224
Journal volume & issue
Vol. 68, no. 8
pp. o2308 – o2308

Abstract

Read online

In the title molecular salt, C14H22N3+·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 CN3 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 CN3 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.