A redetermination at low temperature of the structure of triethylammonium bromide

The structure of the title compound, C6H16N+·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 P31c as the space group rather than P63mc as reported for the room-temperature structure. Careful examination of the appropriate |Fo| values in the low-temperature data showed that the equalities |F(overline hkl)| = |F(hoverline kl)| and |F(hkl)| = |F(hkoverline l)| did not hold at low temperature, confirming P31c 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.