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

Zhang, Y.

doi:10.1107/S1600536812049379

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 (C-C) = 0.004 Å
R = 0.063
wR = 0.186
Data-to-parameter ratio = 18.9
Details

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

Yuan Zhang ^a ^*

^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-HF hydrogen bond; weak C-HF hydrogen bonding also occurs between the cations and anions.

Related literature

For the background to the title salt, see: Haertling et al. (1999); Homes et al. (2001).

Experimental

Crystal data

C₁₁H₁₈N⁺·PF₆^-
M_r = 309.23
Monoclinic, P 2₁ /c
a = 11.466 (2) Å
b = 8.2439 (16) Å
c = 15.559 (3) Å
= 97.82 (3)°
V = 1457.0 (5) Å³
Z = 4
Mo K radiation
= 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(I)
R_int = 0.074

Refinement

R[F² > 2(F²)] = 0.063
wR(F²) = 0.186
S = 1.03
3340 reflections
177 parameters
H-atom parameters constrained
_max = 0.21 e Å^-3
_min = -0.27 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H1F1	0.91	2.27	2.979 (3)	134
C11-H11AF4ⁱ	0.96	2.47	3.399 (4)	162
Symmetry code: (i) -x+1, -y+2, -z+1.

Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); 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.
Homes, C. C., Vogt, T., Shapiro, S. M., Wakimoto, S. & Ramirez, A. P. (2001). Science, 293, 673-676.
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

organic compounds