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Volume 67 
Part 3 
Page m344  
March 2011  

Received 29 January 2011
Accepted 14 February 2011
Online 19 February 2011

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.006 Å
R = 0.065
wR = 0.169
Data-to-parameter ratio = 17.4
Details
Open access

1,4-Diazoniabicyclo[2.2.2]octane hexaaquamagnesium bis(sulfate)

aOrdered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China
Correspondence e-mail: fudavid88@yahoo.com.cn

In the title compound, (C6H14N2)[Mg(H2O)6](SO4)2, the MgII ion, lying on an inversion center, is coordinated by six water molecules in a slightly distorted octahedral geometry. The 1,4-diazoniabicyclo[2.2.2]octane cation is located about a twofold rotation axis. Intermolecular N-H...O and O-H...O hydrogen bonds link the cations and the anions into a three-dimensional network.

Related literature

For the properties and applications of amide salt compounds, see: Fu et al. (2007[Fu, D.-W., Song, Y.-M., Wang, G.-X., Ye, Q., Xiong, R.-G., Akutagawa, T., Nakamura, T., Chan, P. W. H. & Huang, S. D. (2007). J. Am. Chem. Soc. 129, 5346-5347.], 2008[Fu, D.-W., Zhang, W. & Xiong, R.-G. (2008). Cryst. Growth Des. 8, 3461-3464.], 2009[Fu, D.-W., Ge, J.-Z., Dai, J., Ye, H.-Y. & Qu, Z.-R. (2009). Inorg. Chem. Commun. 12, 994-997.]); Fu & Xiong (2008[Fu, D.-W. & Xiong, R.-G. (2008). Dalton Trans. pp. 3946-3948.]).

[Scheme 1]

Experimental

Crystal data
  • (C6H14N2)[Mg(H2O)6](SO4)2

  • Mr = 438.74

  • Monoclinic, C 2/c

  • a = 14.968 (3) Å

  • b = 9.1860 (18) Å

  • c = 14.334 (3) Å

  • [beta] = 117.12 (3)°

  • V = 1754.2 (8) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.41 mm-1

  • T = 298 K

  • 0.40 × 0.30 × 0.20 mm

Data collection
  • Rigaku SCXmini CCD diffractometer

  • Absorption correction: multi-scan (CrystalClear; Rigaku, 2005[Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.89, Tmax = 0.95

  • 8747 measured reflections

  • 2014 independent reflections

  • 1839 reflections with I > 2[sigma](I)

  • Rint = 0.022

Refinement
  • R[F2 > 2[sigma](F2)] = 0.065

  • wR(F2) = 0.169

  • S = 1.26

  • 2014 reflections

  • 116 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.30 e Å-3

  • [Delta][rho]min = -1.08 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1...O3i 0.91 1.87 2.734 (3) 157
O1W-H1WA...O3i 0.85 1.90 2.751 (3) 179
O1W-H1WB...O1ii 0.85 2.01 2.835 (3) 165
O2W-H2WA...O2 0.85 2.00 2.809 (3) 158
O2W-H2WB...O2iii 0.85 1.83 2.674 (3) 173
O3W-H3WA...O4iv 0.85 1.85 2.694 (3) 170
O3W-H3WB...O1iii 0.85 1.92 2.769 (3) 177
Symmetry codes: (i) [-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z]; (ii) [x-{\script{1\over 2}}, y+{\script{1\over 2}}, z]; (iii) [-x+1, y, -z+{\script{1\over 2}}]; (iv) [x-{\script{1\over 2}}, y-{\script{1\over 2}}, z].

Data collection: CrystalClear (Rigaku, 2005[Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalClear; 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]) and DIAMOND (Brandenburg, 1999[Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2403 ).


Acknowledgements

This work was supported by a start-up grant from Southeast University, China.

References

Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Fu, D.-W., Ge, J.-Z., Dai, J., Ye, H.-Y. & Qu, Z.-R. (2009). Inorg. Chem. Commun. 12, 994-997.  [ISI] [CSD] [CrossRef] [ChemPort]
Fu, D.-W., Song, Y.-M., Wang, G.-X., Ye, Q., Xiong, R.-G., Akutagawa, T., Nakamura, T., Chan, P. W. H. & Huang, S. D. (2007). J. Am. Chem. Soc. 129, 5346-5347.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Fu, D.-W. & Xiong, R.-G. (2008). Dalton Trans. pp. 3946-3948.  [CSD] [CrossRef]
Fu, D.-W., Zhang, W. & Xiong, R.-G. (2008). Cryst. Growth Des. 8, 3461-3464.  [CSD] [CrossRef] [ChemPort]
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2011). E67, m344  [ doi:10.1107/S1600536811005368 ]

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