Received 13 May 2010
In the title compound, C6H7BrN+·PF6-·H2O, N-HF, N-HO and O-HF hydrogen-bonding interactions stabilize the crystal structure and give rise to to chains running parallel to the c axis. In the anion, four of the F atoms are disordered over two sets of sites of equal occupancy.
The title compound was synthesized as part of our group's search for ferroelectric compounds, which usually have a phase transition. For background to phase transition materials, see: Li et al. (2008); Zhang et al. (2009).
Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: PRPKAPPA (Ferguson, 1999).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: JH2158 ).
The authors are grateful to the starter fund of Southeast University for financial support to buy the X-ray diffractometer.
Ferguson, G. (1999). PRPKAPPA. University of Guelph, Canada.
Li, X. Z., Qu, Z. R. & Xiong, R. G. (2008). Chin. J. Chem. 11, 1959-1962
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Zhang, W., Chen, L. Z., Xiong, R. G., Nakamura, T. & Huang, S. D. (2009). J. Am. Chem. Soc. 131, 12544-12545