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Volume 69 
Part 12 
Page m666  
December 2013  

Received 28 October 2013
Accepted 11 November 2013
Online 16 November 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.005 Å
R = 0.021
wR = 0.057
Data-to-parameter ratio = 31.7
Details
Open access

Bis(3-aza­niumylprop­yl)aza­nium hexa­chlorido­bis­muthate(III) monohydrate

aLaboratoire de Génie des Matériaux et Environnement (LR11ES46), BP 1173, ENIS, Sfax, Tunisia
Correspondence e-mail: chouaib.hassen@yahoo.fr

The asymmetric unit of the title compound, (C6H20N3)[BiCl6]·H2O, consists of a triprotonated bis­(3-aza­niumylprop­yl)aza­nium cation, two halves of an octahedral [BiCl6]3- anion, each of the BiIII atoms lying on an inversion centre, and a water mol­ecule. In the crystal, the anions and water mol­ecules are linked by O-H...Cl hydrogen bonds, forming chains running parallel to [0-11]. The anionic chains and the cations are further linked into a three-dimensional network by N-H...Cl and N-H...O hydrogen-bond inter­actions.

Related literature

For related structures, see: Chaabouni et al. (1998[Chaabouni, S., Kamoun, S. & Jaud, J. (1998). J. Chem. Crystallogr. 28, 209-212.]); Fu et al. (2005[Fu, Y.-L., Xu, Z.-W., Ren, J.-L. & Ng, S. W. (2005). Acta Cryst. E61, m1717-m1718.]); Rhandour et al. (2011[Rhandour, A., Ouasri, A., Roussel, P. & Mazzah, A. (2011). J. Mol. Struct. 990, 95-101.]); Ouasri et al. (2013[Ouasri, A., Rhandour, A., Saadi, M. & El Ammari, L. (2013). Acta Cryst. E69, m437.]). For bond-valence-sum calculations, see: Brown & Altermatt (1985[Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.]). For van der Waals radii, see: Pauling (1960[Pauling, L. (1960). The Nature of the Chemical Bond. p. 260. Ithaca: Cornell University Press.]).

[Scheme 1]

Experimental

Crystal data
  • (C6H20N3)[BiCl6]·H2O

  • Mr = 573.95

  • Triclinic, [P \overline 1]

  • a = 7.6891 (1) Å

  • b = 10.8642 (1) Å

  • c = 11.9867 (1) Å

  • [alpha] = 93.349 (1)°

  • [beta] = 108.509 (1)°

  • [gamma] = 109.387 (1)°

  • V = 880.54 (2) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 10.91 mm-1

  • T = 296 K

  • 0.1 × 0.1 × 0.1 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 = 0.336, Tmax = 0.349

  • 11734 measured reflections

  • 5325 independent reflections

  • 4009 reflections with I > 2[sigma](I)

  • Rint = 0.025

Refinement
  • R[F2 > 2[sigma](F2)] = 0.021

  • wR(F2) = 0.057

  • S = 0.92

  • 5325 reflections

  • 168 parameters

  • 3 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 1.07 e Å-3

  • [Delta][rho]min = -0.90 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1A...Cl4i 0.89 2.34 3.174 (3) 156
N1-H1B...Cl2ii 0.89 2.73 3.339 (3) 127
N1-H1B...Cl1iii 0.89 2.82 3.474 (3) 132
N1-H1C...Cl3ii 0.89 2.43 3.293 (3) 163
N2-H2B...OW 0.90 1.91 2.804 (4) 173
N2-H2A...Cl2iii 0.90 2.63 3.316 (3) 134
N2-H2A...Cl1ii 0.90 2.71 3.347 (3) 129
N3-H3A...Cl6 0.89 2.48 3.362 (3) 169
N3-H3B...Cl1iv 0.89 2.81 3.412 (3) 126
N3-H3B...Cl3v 0.89 2.81 3.612 (3) 151
N3-H3C...Cl5vi 0.89 2.44 3.269 (3) 155
OW-H1W...Cl6 0.84 (2) 2.83 (3) 3.620 (4) 157 (6)
OW-H2W...Cl3ii 0.86 (2) 2.82 (4) 3.478 (4) 135 (5)
Symmetry codes: (i) -x+2, -y+1, -z+1; (ii) -x+1, -y+1, -z+1; (iii) x+1, y-1, z; (iv) x, y-1, z-1; (v) -x+1, -y+1, -z; (vi) x+1, y, z.

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: RZ5091 ).


Acknowledgements

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

References

Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.  [CrossRef] [Web of Science] [IUCr Journals]
Bruker (2006). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Chaabouni, S., Kamoun, S. & Jaud, J. (1998). J. Chem. Crystallogr. 28, 209-212.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Fu, Y.-L., Xu, Z.-W., Ren, J.-L. & Ng, S. W. (2005). Acta Cryst. E61, m1717-m1718.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
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.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Ouasri, A., Rhandour, A., Saadi, M. & El Ammari, L. (2013). Acta Cryst. E69, m437.  [CSD] [CrossRef] [IUCr Journals]
Pauling, L. (1960). The Nature of the Chemical Bond. p. 260. Ithaca: Cornell University Press.
Rhandour, A., Ouasri, A., Roussel, P. & Mazzah, A. (2011). J. Mol. Struct. 990, 95-101.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, m666  [ doi:10.1107/S1600536813030900 ]

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