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Volume 69 
Part 1 
Page o31  
January 2013  

Received 30 November 2012
Accepted 1 December 2012
Online 8 December 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.004 Å
R = 0.063
wR = 0.186
Data-to-parameter ratio = 18.9
Details
Open access

N,N,2,4,6-Pentamethylanilinium hexafluorophosphate

aDepartment of Applied Chemistry, Nanjing College of Chemical Technology, Nanjing 210048, People's Republic of China
Correspondence e-mail: zhangshelley86@Hotmail.com

In the crystal structure of the title salt, C11H18N+·PF6-, the cation and anion are connected via an N-H...F hydrogen bond; weak C-H...F hydrogen bonding also occurs between the cations and anions.

Related literature

For the background to the title salt, see: Haertling et al. (1999[Haertling, G. H. (1999). J. Am. Ceram. Soc. A82, 797-810.]); Homes et al. (2001[Homes, C. C., Vogt, T., Shapiro, S. M., Wakimoto, S. & Ramirez, A. P. (2001). Science, 293, 673-676.]).

[Scheme 1]

Experimental

Crystal data
  • C11H18N+·PF6-

  • Mr = 309.23

  • Monoclinic, P 21 /c

  • a = 11.466 (2) Å

  • b = 8.2439 (16) Å

  • c = 15.559 (3) Å

  • [beta] = 97.82 (3)°

  • V = 1457.0 (5) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.24 mm-1

  • T = 293 K

  • 0.20 × 0.19 × 0.18 mm

Data collection
  • Rigaku Mercury2 diffractometer

  • 14679 measured reflections

  • 3340 independent reflections

  • 1942 reflections with I > 2[sigma](I)

  • Rint = 0.074

Refinement
  • R[F2 > 2[sigma](F2)] = 0.063

  • wR(F2) = 0.186

  • S = 1.03

  • 3340 reflections

  • 177 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.21 e Å-3

  • [Delta][rho]min = -0.27 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1...F1 0.91 2.27 2.979 (3) 134
C11-H11A...F4i 0.96 2.47 3.399 (4) 162
Symmetry code: (i) -x+1, -y+2, -z+1.

Data collection: CrystalClear (Rigaku, 2005[Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU5658 ).


Acknowledgements

The author is grateful to the starter fund of Nanjing College of Chemical Technology for financial support.

References

Haertling, G. H. (1999). J. Am. Ceram. Soc. A82, 797-810.  [CrossRef]
Homes, C. C., Vogt, T., Shapiro, S. M., Wakimoto, S. & Ramirez, A. P. (2001). Science, 293, 673-676.  [ISI] [CrossRef] [PubMed] [ChemPort]
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2013). E69, o31  [ doi:10.1107/S1600536812049379 ]

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