A redetermination at low temperature of the structure of triethyl-ammonium bromide.

ABSTRACT: The structure of the title compound, C(6)H(16)N(+)·Br(-), was determined at low temperature and the cell dimensions were comparable to those reported for room-temperature studies [James, Cameron, Knop, Newman & Falp, (1985). Can. J. Chem.63, 1750-1758]. Initial analysis of the data led to the assignment of P3(1)c as the space group rather than P6(3)mc as reported for the room-temperature structure. Careful examination of the appropriate |F(o)| values in the low-temperature data showed that the equalities |F(kl)| = |F(hl)| and |F(hkl)| = |F(hk)| did not hold at low temperature, confirming P3(1)c as the appropriate choice of space group. As a consequence of this choice, the N atom sat on a threefold axis and the ethyl arms were not disordered as observed at room temperature. The crystal studied was an inversion twin with a 0.68?(3):0.32?(3) domain ratio.

SUBMITTER: Munro NH 

PROVIDER: S-EPMC2959663 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature