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Volume 69 
Part 4 
Page m217  
April 2013  

Received 4 March 2013
Accepted 11 March 2013
Online 16 March 2013

Key indicators
Single-crystal X-ray study
T = 290 K
Mean [sigma](C-C) = 0.003 Å
R = 0.020
wR = 0.044
Data-to-parameter ratio = 17.1
Details
Open access

Bis(3-azaniumylpyridin-1-ium) hexachloridostannate(IV) dichloride

aInstitut für Anorganische Chemie und Strukturchemie, Lehrstuhl II: Material- und Strukturforschung, Heinrich-Heine-Universität Düsseldorf, Universitätsstrasse 1, D-40225 Düsseldorf, Germany
Correspondence e-mail: reissg@hhu.de

The asymmetric unit of the title compound, (C5H8N2)2[SnCl6]Cl2, consists of one 3-azaniumylpyridin-1-ium dication and one chloride ion in a general position and a hexachloridostannate(IV) dianion lying about a centre of inversion. The [SnCl6]2- anion exhibits almost perfect octahedral geometry. The 3-azaniumylpyridin-1-ium and chloride ions are connected via medium-strong charge-supported N-H...Cl hydrogen bonds, forming undulating layers in the (110) plane. The [SnCl6]2- ions are located between these layers and occupy cavities formed by two facing layer puckers.

Related literature

For related 3-azaniumylpyridin-1-ium salts, see: Ali et al. (2008[Ali, B. F., Al-Far, R. H. & Haddad, S. F. (2008). Acta Cryst. E64, m751-m752.]); Kapoor et al. (2012[Kapoor, I. P. S., Kapoor, M., Singh, G., Singh, U. P. & Goel, N. (2012). J. Mol. Struct. 1012, 62-72.]); Rao et al. (2011[Rao, A. S., Baruah, U. & Das, S. K. (2011). Inorg. Chim. Acta, 372, 206-212.]); Sarma et al. (2012[Sarma, M., Chatterjee, T. & Das, S. K. (2012). RSC Adv. 2, 3920-3926.]); Willett et al. (1988[Willett, R., Place, H. & Middleton, M. (1988). J. Am. Chem. Soc. 110, 8639-8650.]). For related hexahalogenidometalate salts, see: Reiss (1998[Reiß, G. J. (1998). Acta Cryst. C54, 1489-1491.], 2002[Reiß, G. J. (2002). Acta Cryst. E58, m47-m50.]); Reiss & Helmbrecht (2012[Reiss, G. J. & Helmbrecht, C. (2012). Acta Cryst. E68, m1402-m1403.]). For spectroscopy of hexachloridostannate(IV) salts, see: Brown et al. (1970[Brown, T. L., McDugle, W. G. Jr & Kent, L. G. (1970). J. Am. Chem. Soc. 92, 3645-3653.]); Ouasri et al. (2001[Ouasri, A., Elyoubi, M. S. D., Guedira, T., Rhandour, A., Mhiri, T. & Daoud, A. (2001). Spectrochim. Acta Part A, 57, 2593-2598.]). For graph-set theory and its applications, see: Bernstein et al. (1995[Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl. 34, 1555-1573.]); Etter et al. (1990[Etter, M. C., MacDonald, J. C. & Bernstein, J. (1990). Acta Cryst. B46, 256-262.]).

[Scheme 1]

Experimental

Crystal data
  • (C5H8N2)2[SnCl6]Cl2

  • Mr = 594.56

  • Orthorhombic, P b c a

  • a = 11.9379 (3) Å

  • b = 10.3704 (3) Å

  • c = 16.7018 (5) Å

  • V = 2067.70 (10) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 2.27 mm-1

  • T = 290 K

  • 0.14 × 0.12 × 0.06 mm

Data collection
  • Oxford Diffraction Xcalibur Eos diffractometer

  • Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.]) Tmin = 0.853, Tmax = 1.000

  • 30476 measured reflections

  • 2364 independent reflections

  • 1875 reflections with I > 2[sigma](I)

  • Rint = 0.038

Refinement
  • R[F2 > 2[sigma](F2)] = 0.020

  • wR(F2) = 0.044

  • S = 1.06

  • 2364 reflections

  • 138 parameters

  • All H-atom parameters refined

  • [Delta][rho]max = 0.26 e Å-3

  • [Delta][rho]min = -0.22 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H11...Cl1 0.94 (2) 2.23 (3) 3.135 (2) 161 (2)
N1-H12...Cl2i 0.91 (3) 2.48 (3) 3.343 (2) 160 (2)
N1-H13...Cl1ii 0.92 (3) 2.19 (3) 3.104 (2) 176 (2)
N2-H2...Cl1iii 0.86 (2) 2.21 (2) 3.055 (2) 167 (2)
Symmetry codes: (i) [x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]; (ii) [-x+{\script{1\over 2}}, y+{\script{1\over 2}}, z]; (iii) [-x+1, y+{\script{1\over 2}}, -z+{\script{1\over 2}}].

Data collection: CrysAlis PRO (Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.]); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; 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, 2012[Brandenburg, K. (2012). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: 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: PK2471 ).


Acknowledgements

We thank E. Hammes and P. Roloff for technical support. We acknowledge the support for the publication fee by the `Lehrförderfond' of the Heinrich-Heine-Universität Düsseldorf.

References

Ali, B. F., Al-Far, R. H. & Haddad, S. F. (2008). Acta Cryst. E64, m751-m752.  [CSD] [CrossRef] [details]
Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl. 34, 1555-1573.  [CrossRef] [ChemPort] [ISI]
Brandenburg, K. (2012). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Brown, T. L., McDugle, W. G. Jr & Kent, L. G. (1970). J. Am. Chem. Soc. 92, 3645-3653.  [CrossRef] [ChemPort] [ISI]
Etter, M. C., MacDonald, J. C. & Bernstein, J. (1990). Acta Cryst. B46, 256-262.  [CrossRef] [ISI] [details]
Kapoor, I. P. S., Kapoor, M., Singh, G., Singh, U. P. & Goel, N. (2012). J. Mol. Struct. 1012, 62-72.  [ISI] [CSD] [CrossRef] [ChemPort]
Ouasri, A., Elyoubi, M. S. D., Guedira, T., Rhandour, A., Mhiri, T. & Daoud, A. (2001). Spectrochim. Acta Part A, 57, 2593-2598.  [ChemPort]
Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.
Rao, A. S., Baruah, U. & Das, S. K. (2011). Inorg. Chim. Acta, 372, 206-212.  [ISI] [CSD] [CrossRef] [ChemPort]
Reiß, G. J. (1998). Acta Cryst. C54, 1489-1491.  [CSD] [CrossRef] [details]
Reiß, G. J. (2002). Acta Cryst. E58, m47-m50.  [CSD] [CrossRef] [details]
Reiss, G. J. & Helmbrecht, C. (2012). Acta Cryst. E68, m1402-m1403.  [CSD] [CrossRef] [details]
Sarma, M., Chatterjee, T. & Das, S. K. (2012). RSC Adv. 2, 3920-3926.  [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]
Willett, R., Place, H. & Middleton, M. (1988). J. Am. Chem. Soc. 110, 8639-8650.  [CrossRef] [ChemPort] [ISI]


Acta Cryst (2013). E69, m217  [ doi:10.1107/S1600536813006806 ]

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