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Volume 68 
Part 6 
Page o1654  
June 2012  

Received 12 April 2012
Accepted 2 May 2012
Online 5 May 2012

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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.006 Å
R = 0.043
wR = 0.091
Data-to-parameter ratio = 26.3
Details
Open access

3-Methylpiperidinium bromide

Qian Xua*

aOrdered Matter Science Research Center, Southeast University, Nanjing 211189, People's Republic of China
Correspondence e-mail: xqchem@yahoo.com.cn

In the crystal structure of the title molecular salt, C6H14N+·Br-, N-H...Br hydrogen bonds link the cations and anions to form a one-dimensional network.

Related literature

For general background to ferroelectric organic frameworks, see: Ye et al. (2006[Ye, Q., Song, Y.-M., Wang, G.-X., Chen, K. & Fu, D.-W. (2006). J. Am. Chem. Soc. 128, 6554-6555.]); Zhang et al. (2008[Zhang, W., Xiong, R.-G. & Huang, S.-P. D. (2008). J. Am. Chem. Soc. 130, 10468-10469.], 2010[Zhang, W., Ye, H.-Y., Cai, H.-L., Ge, J.-Z. & Xiong, R.-G. (2010). J. Am. Chem. Soc. 132, 7300-7302.]).

[Scheme 1]

Experimental

Crystal data

  • C6H14N+·Br-

  • Mr = 180.09

  • Monoclinic, C 2/c

  • a = 23.134 (5) Å

  • b = 9.997 (2) Å

  • c = 7.7214 (15) Å

  • [beta] = 107.90 (3)°

  • V = 1699.3 (6) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 4.75 mm-1

  • T = 293 K

  • 0.55 × 0.44 × 0.36 mm
Data collection

  • Rigaku Mercury70 CCD diffractometer

  • Absorption correction: multi-scan (CrystalClear; Rigaku, 2005[Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.134, Tmax = 0.223

  • 8544 measured reflections

  • 1946 independent reflections

  • 1327 reflections with I > 2[sigma](I)

  • Rint = 0.057
Refinement

  • R[F2 > 2[sigma](F2)] = 0.043

  • wR(F2) = 0.091

  • S = 1.09

  • 1946 reflections

  • 74 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.37 e Å-3

  • [Delta][rho]min = -0.57 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1D...Br1 0.90 2.38 3.273 (3) 175
N1-H1C...Br1i 0.90 2.36 3.255 (3) 173
Symmetry code: (i) [x, -y+1, z-{\script{1\over 2}}].

Data collection: SCXmini (Rigaku, 2006[Rigaku (2006). SCXmini. Rigaku Americas Corporation, The Woodlands, Texas, USA.]); cell refinement: SCXmini; data reduction: SCXmini; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: DIAMOND (Brandenburg & Putz, 2005[Brandenburg, K. & Putz, H. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: DS2192 ).

Acknowledgements

The author is grateful to the starter fund of Southeast University for the purchase of the diffractometer.

References

Brandenburg, K. & Putz, H. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Rigaku (2006). SCXmini. Rigaku Americas Corporation, The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Ye, Q., Song, Y.-M., Wang, G.-X., Chen, K. & Fu, D.-W. (2006). J. Am. Chem. Soc. 128, 6554-6555.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Zhang, W., Xiong, R.-G. & Huang, S.-P. D. (2008). J. Am. Chem. Soc. 130, 10468-10469.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Zhang, W., Ye, H.-Y., Cai, H.-L., Ge, J.-Z. & Xiong, R.-G. (2010). J. Am. Chem. Soc. 132, 7300-7302.  [ISI] [CSD] [CrossRef] [ChemPort] [PubMed]

Acta Cryst (2012). E68, o1654  [ doi:10.1107/S160053681201971X ]

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