4-Benzyl-4-methyl­morpholinium hexa­fluoro­phosphate

Su, Q.; Zang, H.-J.; Xu, T.; Ren, Y.-L.

doi:10.1107/S1600536810038432

Volume 66
Part 10
Page o2695
October 2010

Received 14 September 2010
Accepted 26 September 2010
Online 30 September 2010

Key indicators
Single-crystal X-ray study
T = 113 K
Mean (C-C) = 0.003 Å
Disorder in main residue
R = 0.049
wR = 0.114
Data-to-parameter ratio = 15.9
Details

4-Benzyl-4-methylmorpholinium hexafluorophosphate

Qiu-hong Su,^a Hong-Jun Zang,^a ^* Tian-lin Xu ^b and Yuan-Lin Ren ^b

^aDepartment of Enviromental and Chemistry Engineering, Tianjin Polytechnic University, State Key Laboratory of Hollow Fiber Membrane Materials and Processes, Tianjin 300160, People's Republic of China, and ^bDepartment of Textiles, Tianjin Polytechnic University, State Key Laboratory of Hollow Fiber Membrane Materials and Processes, Tianjin 300160, People's Republic of China
Correspondence e-mail: chemhong@126.com

In the title compound, C₁₂H₁₈NO⁺·PF₆^-, the asymmetric unit consists of two cation-anion pairs. The six F atoms of one anion are disordered over two sets of sites in a 0.592 (6):0.408 (6) ratio. The morpholinium rings adopt chair conformations.

Related literature

Ionic liquids based on the morpholinium cation are favored becaused of their low cost, easy synthesis, and electrochemical stability, see: Kim et al. (2006).

Experimental

Crystal data

C₁₂H₁₈NO⁺·PF₆^-
M_r = 337.24
Triclinic, $[P \overline 1]$
a = 9.7268 (14) Å
b = 10.7183 (16) Å
c = 14.537 (2) Å
= 104.307 (5)°
= 96.816 (8)°
= 95.633 (7)°
V = 1445.3 (4) Å³
Z = 4
Mo K radiation
= 0.26 mm^-1
T = 113 K
0.22 × 0.14 × 0.12 mm

Data collection

Rigaku Saturn diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2005) T_min = 0.946, T_max = 0.970
17415 measured reflections
6387 independent reflections
4730 reflections with I > 2(I)
R_int = 0.043

Refinement

R[F² > 2(F²)] = 0.049
wR(F²) = 0.114
S = 1.03
6387 reflections
401 parameters
84 restraints
H-atom parameters constrained
_max = 0.53 e Å^-3
_min = -0.40 e Å^-3

Data collection: CrystalClear (Rigaku/MSC, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXS97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: JH2209 ).

Acknowledgements

The authors thank the Tianjin Natural Science Foundation (07JCYBJC02200) and (10JCZDJC22200) for financial support.

References

Kim, K. S., Choi, S., Cha, J. H., Yeon, S. H. & Lee, H. (2006). J. Mater. Chem. 16, 1315-1317.
Rigaku/MSC (2005). CrystalClear. Rigaku/MSC, The Woodlands, Texas, USA
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

organic compounds