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Volume 69 
Part 6 
Page m311  
June 2013  

Received 25 April 2013
Accepted 6 May 2013
Online 11 May 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.009 Å
Disorder in main residue
R = 0.030
wR = 0.064
Data-to-parameter ratio = 18.4
Details
Open access

Tris(N,N-dimethylanilinium) hexabromidostannate(IV) bromide

aLaboratoire de Génie des Matériaux et Environnement, École Nationale d'Ingénieurs de Sfax, BP 1173, Sfax, Tunisia
Correspondence e-mail: chouaib.hassen@yahoo.fr

In the title compound, (C8H12N)3[SnBr6]Br, the anilinium N atom of one of the three unique cations exhibits flip-flop disorder with an 0.60:0.40 occupancy ratio. In the crystal, N-H...Br hydrogen bonds link the N,N-dimethylanilinium cations and both Br- anions and [SnBr6]2- dianions into a layered arrangement parallel to (001).

Related literature

For related structures, see: Ali et al. (2008[Ali, B. F., Al-Far, R. H. & Haddad, S. F. (2008). Acta Cryst. E64, m749-m750.]), Al-Far et al. (2009[Al-Far, R. H., Haddad, S. F. & Ali, B. F. (2009). Acta Cryst. E65, m583-m584.]); Howie et al. (2009[Howie, R. A., Lima, G. M. de, Tiekink, E. R. T., Wardell, J. L. & Wardell, S. M. S. V. (2009). Acta Cryst. E65, m1562.]). For electric, magnetic and dielectric properties of related compounds, see: Hiraga et al. (2007[Hiraga, H., Miyasaka, H., Nakata, K., Kajiwara, T., Takaishi, S., Oshim, Y., Nojiri, H. & Yamashita, M. (2007). Inorg. Chem. 46, 9661-9671.]); Karoui et al. (2013[Karoui, S., Kamoun, S. & Jouini, A. (2013). J. Solid State Chem. 197, 60-68.]).

[Scheme 1]

Experimental

Crystal data
  • (C8H12N)3[SnBr6]Br

  • Mr = 1044.62

  • Monoclinic, P 21 /c

  • a = 14.3408 (6) Å

  • b = 9.1904 (4) Å

  • c = 26.4029 (12) Å

  • [beta] = 93.451 (2)°

  • V = 3473.5 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 8.81 mm-1

  • T = 296 K

  • 0.10 × 0.10 × 0.10 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2006[Bruker (2006). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.415, Tmax = 0.431

  • 27006 measured reflections

  • 6112 independent reflections

  • 4555 reflections with I > 2[sigma](I)

  • Rint = 0.044

Refinement
  • R[F2 > 2[sigma](F2)] = 0.030

  • wR(F2) = 0.064

  • S = 1.01

  • 6112 reflections

  • 333 parameters

  • 7 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.55 e Å-3

  • [Delta][rho]min = -0.38 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N11-H1...Br7i 0.91 2.38 3.269 (4) 165
N21-H2...Br7 0.91 2.30 3.196 (4) 168
N31B-H3B...Br5 0.91 2.74 3.631 (8) 167.1
N31A-H3A...Br4ii 0.83 2.56 3.352 (13) 159.7
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) [-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2006[Bruker (2006). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2006[Bruker (2006). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; 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: Mercury (Macrae et al., 2008[Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.]); software used to prepare material for publication: WinGX (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]) and publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NK2205 ).


Acknowledgements

The authors gratefully acknowledge the support of the Tunisian Ministry of Higher Education and Scientific Research.

References

Al-Far, R. H., Haddad, S. F. & Ali, B. F. (2009). Acta Cryst. E65, m583-m584.  [CSD] [CrossRef] [ChemPort] [details]
Ali, B. F., Al-Far, R. H. & Haddad, S. F. (2008). Acta Cryst. E64, m749-m750.  [CSD] [CrossRef] [ChemPort] [details]
Bruker (2006). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Hiraga, H., Miyasaka, H., Nakata, K., Kajiwara, T., Takaishi, S., Oshim, Y., Nojiri, H. & Yamashita, M. (2007). Inorg. Chem. 46, 9661-9671.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Howie, R. A., Lima, G. M. de, Tiekink, E. R. T., Wardell, J. L. & Wardell, S. M. S. V. (2009). Acta Cryst. E65, m1562.  [CSD] [CrossRef] [details]
Karoui, S., Kamoun, S. & Jouini, A. (2013). J. Solid State Chem. 197, 60-68.  [ISI] [CrossRef] [ChemPort]
Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.  [ISI] [CrossRef] [ChemPort] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]


Acta Cryst (2013). E69, m311  [ doi:10.1107/S1600536813012403 ]

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