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Volume 69 
Part 12 
Pages m649-m650  
December 2013  

Received 29 October 2013
Accepted 6 November 2013
Online 9 November 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.003 Å
R = 0.045
wR = 0.108
Data-to-parameter ratio = 33.2
Details
Open access

Tetra­aqua­bis­(piperazin-1-ium)cobalt(II) bis­(sulfate) dihydrate

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

In the centrosymmetric title compound, [Co(C4H11N2)2(H2O)4](SO4)2·2H2O, the CoII atom is coordinated in a distorted octa­hedral geometry by four water O atoms and two piperazinium N atoms. These four water O atoms define an equatorial plane with a maximum deviation of 0.0384 (1) Å while the two piperazinium N atoms complete the octa­hedron in the axial positions. Neighboring complex mol­ecules and sulfate anions are connected through an extensive network of N-H...O and O-H...O hydrogen bonds, which link the different chemical species into layers in the ab plane. Additional Owater-H...O hydrogen bonds involving the non-coordinating water mol­ecules and C-H...O inter­actions connect these layers into a three-dimensional supra­molecular structure.

Related literature

For metal-sulfate complexes with piperazinium cations, see: Rekik et al. (2005[Rekik, W., Naïli, H., Mhiri, T. & Bataille, T. (2005). Acta Cryst. E61, m629-m631.]); Pan et al. (2003[Pan, J.-X., Yang, G.-Y. & Sun, Y.-Q. (2003). Acta Cryst. E59, m286-m288.]); Sahbani et al. (2011[Sahbani, T., Smirani Sta, W., S. Al-Deyab, S. & Rzaigui, M. (2011). Acta Cryst. E67, m1079.]); Mrinal et al. (2010[Mrinal, S., Supriti, P., Kanak, R., Sandipan, R., Avijit, S., Alok, K. & Debashis, R. (2010). Inorg. Chim. Acta, 363, 3041-3047.]). For the biological activity of piperazines, see: Bogatcheva et al. (2006[Bogatcheva, E., Hanrahan, C., Nikonenko, B., Samala, R., Chen, P., Gearhart, J., Barbosa, F., Einck, L., Nacy, C. A. & Protopopova, M. (2006). J. Med. Chem. 49, 3045-3048.]). For a description of the Cambridge Structural Database, see: Allen (2002[Allen, F. H. (2002). Acta Cryst. B58, 380-388.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C4H11N2)2(H2O)4](SO4)2·2H2O

  • Mr = 533.46

  • Orthorhombic, P b c a

  • a = 12.187 (2) Å

  • b = 12.980 (2) Å

  • c = 13.437 (2) Å

  • V = 2125.5 (6) Å3

  • Z = 4

  • Ag K[alpha] radiation

  • [lambda] = 0.56085 Å

  • [mu] = 0.56 mm-1

  • T = 293 K

  • 0.30 × 0.20 × 0.20 mm

Data collection
  • Enraf-Nonius TurboCAD-4 diffractometer

  • 8070 measured reflections

  • 5211 independent reflections

  • 3131 reflections with I > 2[sigma](I)

  • Rint = 0.023

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

Refinement
  • R[F2 > 2[sigma](F2)] = 0.045

  • wR(F2) = 0.108

  • S = 1.04

  • 5211 reflections

  • 157 parameters

  • 9 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.73 e Å-3

  • [Delta][rho]min = -0.35 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O5-H1O5...O4i 0.83 (2) 1.96 (2) 2.776 (2) 170 (2)
O5-H2O5...O7 0.85 (2) 1.83 (2) 2.672 (2) 178 (2)
O7-H1O7...O3ii 0.82 (2) 1.98 (2) 2.797 (2) 169 (2)
O7-H2O7...O2 0.82 (2) 1.95 (2) 2.746 (2) 163 (2)
N1-H5...O3iii 0.91 2.35 3.240 (2) 166
O6-H1O6...O2iv 0.85 (2) 1.85 (2) 2.697 (2) 176 (3)
O6-H2O6...O1 0.84 (2) 1.86 (2) 2.686 (2) 168 (2)
N2-H9A...O1v 0.90 1.86 2.747 (2) 170
N2-H9B...O4ii 0.90 1.85 2.741 (2) 170
C3-H3A...O7vi 0.97 2.59 3.326 (3) 133
C4-H4A...O4iv 0.97 2.60 3.545 (2) 165
Symmetry codes: (i) [-x+{\script{3\over 2}}, y+{\script{1\over 2}}, z]; (ii) [x, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]; (iii) -x+1, -y+1, -z+1; (iv) [x-{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+1]; (v) [-x+1, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]; (vi) [x-{\script{1\over 2}}, y, -z+{\script{1\over 2}}].

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: ZL2569 ).


References

Allen, F. H. (2002). Acta Cryst. B58, 380-388.  [Web of Science] [CrossRef] [IUCr Journals]
Bogatcheva, E., Hanrahan, C., Nikonenko, B., Samala, R., Chen, P., Gearhart, J., Barbosa, F., Einck, L., Nacy, C. A. & Protopopova, M. (2006). J. Med. Chem. 49, 3045-3048.  [Web of Science] [CrossRef] [PubMed] [ChemPort]
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]
Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.
Mrinal, S., Supriti, P., Kanak, R., Sandipan, R., Avijit, S., Alok, K. & Debashis, R. (2010). Inorg. Chim. Acta, 363, 3041-3047.
Pan, J.-X., Yang, G.-Y. & Sun, Y.-Q. (2003). Acta Cryst. E59, m286-m288.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Rekik, W., Naïli, H., Mhiri, T. & Bataille, T. (2005). Acta Cryst. E61, m629-m631.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Sahbani, T., Smirani Sta, W., S. Al-Deyab, S. & Rzaigui, M. (2011). Acta Cryst. E67, m1079.  [CSD] [CrossRef] [IUCr Journals]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, m649-m650   [ doi:10.1107/S1600536813030365 ]

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