Ontology highlight
ABSTRACT:
SUBMITTER: Tiritiris I
PROVIDER: S-EPMC3414178 | biostudies-literature | 2012 Aug
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20120704 Pt 8
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 dis ...[more]