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Volume 70 
Part 5 
Page m178  
May 2014  

Received 17 January 2014
Accepted 3 April 2014
Online 12 April 2014

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.010 Å
R = 0.048
wR = 0.134
Data-to-parameter ratio = 21.0
Details
Open access

1,4-Diazo­niabi­cyclo­[2.2.2]octane tetra­chlorido­cadmate(II) monohydrate

aLaboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Université de Tunis El Manar, 2092 Manar II Tunis, Tunisia
Correspondence e-mail: habib.boughzala@ipein.rnu.tn

The asymmetric unit of the title compound (C6H14N2)[CdCl4]·H2O contained one 1,4-di­aza­bicyclo­[2.2.2]octane dication, a tetrahedral CdCl42- anion and a lattice water mol­ecule. In the crystal, the solvate water mol­ecule inter­acts with the cationic and anionic species via N-H...O and O-H...Cl [O...Cl = 3.289 (7) Å] hydrogen-bond inter­actions, respectively, leading to a layered supramolecular structure extending parallel to (011).

Related literature

For background to this class of compounds, see: Wei & Willett (2002[Wei, M. & Willett, R. D. (2002). J. Chem. Crystallogr. 32, 439-445.]); Billing & Lemmerer (2009[Billing, D. G. & Lemmerer, A. (2009). CrystEngComm, 11, 1549-1562.]); Samet et al. (2010[Samet, A., Boughzala, H., Khemekhem, H. & Abid, Y. (2010). J. Mol. Struct. 984, 23-29.]) Lemmerer & Billing (2012[Lemmerer, A. & Billing, D. G. (2012). CrystEngComm, 14, 1954-1966.]); Ben Rhaiem et al. (2013[Ben Rhaiem, T., Boughzala, H. & Driss, A. (2013). Acta Cryst. E69, m330.]). For related structures, see: Sun & Qu (2005[Sun, X.-M. & Qu, Y. (2005). Acta Cryst. E61, m1360-m1362.]); Zhang & Zhu (2012[Zhang, Y. & Zhu, B. H. (2012). Acta Cryst. E68, m687.]).

[Scheme 1]

Experimental

Crystal data
  • (C6H14N2)[CdCl4]·H2O

  • Mr = 386.40

  • Orthorhombic, P 21 21 21

  • a = 8.528 (5) Å

  • b = 11.653 (2) Å

  • c = 13.114 (6) Å

  • V = 1303.2 (10) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 2.47 mm-1

  • T = 298 K

  • 0.54 × 0.43 × 0.29 mm

Data collection
  • Enraf-Nonius CAD-4 diffractometer

  • Absorption correction: [psi] scan (North et al., 1968[North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.]) Tmin = 0.283, Tmax = 0.536

  • 5639 measured reflections

  • 2837 independent reflections

  • 2632 reflections with I > 2[sigma](I)

  • Rint = 0.075

  • 2 standard reflections every 120 min intensity decay: 1%

Refinement
  • R[F2 > 2[sigma](F2)] = 0.048

  • wR(F2) = 0.134

  • S = 1.19

  • 2837 reflections

  • 135 parameters

  • 10 restraints

  • H-atom parameters not refined

  • [Delta][rho]max = 1.58 e Å-3

  • [Delta][rho]min = -1.44 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-H2...Oi 0.84 2.01 2.783 (1) 151
Symmetry code: (i) [-x, y+{\script{1\over 2}}, -z+{\script{1\over 2}}].

Data collection: CAD-4 EXPRESS (Duisenberg, 1992[Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.]); cell refinement: CAD-4 EXPRESS; data reduction: XCAD4 (Harms & Wocadlo, 1995[Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.]); 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; molecular graphics: DIAMOND (Brandenburg, 2006[Brandenburg, K. (2006). 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.]).


Supporting information for this paper is available from the IUCr electronic archives (Reference: DS2238 ).


References

Ben Rhaiem, T., Boughzala, H. & Driss, A. (2013). Acta Cryst. E69, m330.  [CSD] [CrossRef] [IUCr Journals]
Billing, D. G. & Lemmerer, A. (2009). CrystEngComm, 11, 1549-1562.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.  [CrossRef] [ChemPort] [Web of Science] [IUCr Journals]
Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.
Lemmerer, A. & Billing, D. G. (2012). CrystEngComm, 14, 1954-1966.  [Web of Science] [CSD] [CrossRef] [ChemPort]
North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.  [CrossRef] [IUCr Journals]
Samet, A., Boughzala, H., Khemekhem, H. & Abid, Y. (2010). J. Mol. Struct. 984, 23-29.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Sun, X.-M. & Qu, Y. (2005). Acta Cryst. E61, m1360-m1362.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Wei, M. & Willett, R. D. (2002). J. Chem. Crystallogr. 32, 439-445.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Zhang, Y. & Zhu, B. H. (2012). Acta Cryst. E68, m687.  [CSD] [CrossRef] [IUCr Journals]


Acta Cryst (2014). E70, m178  [ doi:10.1107/S1600536814007533 ]

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