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Volume 70 
Part 1 
Page m6  
January 2014  

Received 25 November 2013
Accepted 29 November 2013
Online 7 December 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.002 Å
R = 0.038
wR = 0.097
Data-to-parameter ratio = 28.9
Details
Open access

Bis(4-amino­pyridinium) hexa­aqua­nickel(II) bis­(sulfate)

aLaboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna Bizerte, Tunisia
Correspondence e-mail: wajda_sta@yahoo.fr

In the title compound, (C5H7N2)2[Ni(H2O)6](SO4)2, the NiII cation is located on an inversion centre and is coordinated by six aqua ligands in a slightly distorted octa­hedral coordination environment. The [Ni(H2O)6]2+ ions are connected through an extensive network of O-H...O hydrogen bonds to sulfate anions, leading to the formation of layers parallel to (001). The 4-amino­pyridinium cations are located between these layers and are connected to the anionic framework by N-H...O hydrogen bonds. Weak [pi]-[pi] inter­actions between the pyridine rings, with a centroid-centroid distance of 3.754 (9) Å, provide additional stability to the crystal packing.

Related literature

For applications of metal sulfate complexes, see: Rekik et al. (2008[Rekik, W., Naili, H., Mhiri, T. & Bataille, T. (2008). Mater. Res. Bull. 43, 2709-2718.]). For clinical background to 4-amino­pyridine, see: Judge & Bever (2006[Judge, S. & Bever, C. (2006). Pharmacol. Ther. 111, 224-259.]); Schwid et al. (1997[Schwid, S. B., Petrie, M. D., McDermott, M. P., Tierney, D. S., Mason, D. H. & Goodman, A. D. (1997). Neurology, 48, 817-821.]); Strupp et al. (2004[Strupp, M., Kalla, R., Dichgans, M., Fraitinger, T., Glasauer, S. & Brandt, T. (2004). Neurology, 62, 1623-1625.]). For related compounds, see: Anderson et al. (2005[Anderson, F. P., Gallagher, J. F., Kenny, P. T. M. & Lough, A. J. (2005). Acta Cryst. E61, o1350-o1353.]); Hajlaoui et al. (2011[Hajlaoui, F., Naili, H., Yahyaoui, S., Turnbull, M. M., Mhiri, T. & Bataille, T. (2011). Dalton Trans. 40, 11613-11620.]); Quah et al. (2010[Quah, C. K., Fun, H.-K., Isloor, A. M. & Isloor, N. (2010). Acta Cryst. E66, o2250-o2251.]); Rotondo et al. (2009[Rotondo, A., Bruno, G., Messina, F. & Nicoló, F. (2009). Acta Cryst. E65, m1203-m1204.]).

[Scheme 1]

Experimental

Crystal data
  • (C5H7N2)2[Ni(H2O)6](SO4)2

  • Mr = 549.18

  • Triclinic, [P \overline 1]

  • a = 6.212 (2) Å

  • b = 7.015 (3) Å

  • c = 12.422 (2) Å

  • [alpha] = 100.61 (3)°

  • [beta] = 99.26 (2)°

  • [gamma] = 99.57 (2)°

  • V = 514.3 (3) Å3

  • Z = 1

  • Ag K[alpha] radiation

  • [lambda] = 0.56085 Å

  • [mu] = 0.64 mm-1

  • T = 293 K

  • 0.30 × 0.20 × 0.20 mm

Data collection
  • Enraf-Nonius TurboCAD-4 diffractometer

  • 5919 measured reflections

  • 5022 independent reflections

  • 3986 reflections with I > 2[sigma](I)

  • Rint = 0.014

  • 2 standard reflections every 120 min intensity decay: 5%

Refinement
  • R[F2 > 2[sigma](F2)] = 0.038

  • wR(F2) = 0.097

  • S = 1.11

  • 5022 reflections

  • 174 parameters

  • 6 restraints

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

  • [Delta][rho]max = 0.75 e Å-3

  • [Delta][rho]min = -1.06 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-H1...O2i 0.86 2.43 3.102 (2) 136
N2-H1...O3ii 0.86 2.23 2.983 (2) 147
O1-H1O1...O7i 0.82 (2) 2.03 (2) 2.8231 (16) 163 (2)
O1-H2O1...O5iii 0.86 (2) 1.82 (2) 2.6741 (16) 172 (2)
O2-H1O2...O4iv 0.83 (2) 1.90 (2) 2.6952 (17) 161 (2)
O2-H2O2...O7i 0.84 (2) 1.95 (2) 2.7480 (16) 159 (2)
N1-H6...O4i 0.80 (3) 2.17 (3) 2.957 (2) 173 (3)
N1-H7...O5v 0.86 (3) 2.55 (3) 3.153 (2) 129 (2)
N1-H7...O6v 0.86 (3) 2.15 (3) 2.998 (2) 170 (2)
O3-H103...O5vi 0.77 (2) 1.96 (2) 2.7072 (15) 164 (2)
O3-H203...O7vii 0.815 (19) 1.876 (19) 2.6682 (15) 164 (2)
Symmetry codes: (i) -x+1, -y, -z+1; (ii) x+1, y, z+1; (iii) x-1, y-1, z-1; (iv) -x+1, -y+1, -z+1; (v) -x+2, -y, -z+1; (vi) x-1, y, z-1; (vii) x, y, z-1.

Data collection: CAD-4 EXPRESS (Enraf-Nonius, 1994[Enraf-Nonius (1994). CAD-4 EXPRESS. Enraf-Nonius, Delft, The Netherlands.]); 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 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]); software used to prepare material for publication: WinGX (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2787 ).


References

Anderson, F. P., Gallagher, J. F., Kenny, P. T. M. & Lough, A. J. (2005). Acta Cryst. E61, o1350-o1353.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Enraf-Nonius (1994). CAD-4 EXPRESS. Enraf-Nonius, Delft, The Netherlands.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Hajlaoui, F., Naili, H., Yahyaoui, S., Turnbull, M. M., Mhiri, T. & Bataille, T. (2011). Dalton Trans. 40, 11613-11620.  [CSD] [CrossRef] [ChemPort] [PubMed]
Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.
Judge, S. & Bever, C. (2006). Pharmacol. Ther. 111, 224-259.  [CrossRef] [PubMed] [ChemPort]
Quah, C. K., Fun, H.-K., Isloor, A. M. & Isloor, N. (2010). Acta Cryst. E66, o2250-o2251.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Rekik, W., Naili, H., Mhiri, T. & Bataille, T. (2008). Mater. Res. Bull. 43, 2709-2718.  [Web of Science] [CrossRef] [ChemPort]
Rotondo, A., Bruno, G., Messina, F. & Nicoló, F. (2009). Acta Cryst. E65, m1203-m1204.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Schwid, S. B., Petrie, M. D., McDermott, M. P., Tierney, D. S., Mason, D. H. & Goodman, A. D. (1997). Neurology, 48, 817-821.  [CrossRef] [ChemPort] [PubMed] [Web of Science]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Strupp, M., Kalla, R., Dichgans, M., Fraitinger, T., Glasauer, S. & Brandt, T. (2004). Neurology, 62, 1623-1625.  [Web of Science] [CrossRef] [PubMed] [ChemPort]


Acta Cryst (2014). E70, m6  [ doi:10.1107/S1600536813032558 ]

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