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Volume 69 
Part 6 
Pages m309-m310  
June 2013  

Received 29 April 2013
Accepted 3 May 2013
Online 11 May 2013

Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.004 Å
R = 0.028
wR = 0.073
Data-to-parameter ratio = 10.4
Details
Open access

Bis(3-aminopyrazine-2-carboxylato-[kappa]2N1,O)diaquanickel(II) dihydrate

aLaboratoire de Chimie Appliquée et Technologie des Matériaux LCATM, Université Oum El Bouaghi, Algeria,bDépartement Sciences de la Matière, Faculté des Sciences Exactes et Sciences de la Nature et de la Vie, Université Oum El Bouaghi, Algeria, and cUnité de Recherche de Chimie de l'Environnement et Moléculaire Structurale, CHEMS, Faculté des Sciences Exactes, Université Constantine 25000, Algeria
Correspondence e-mail: bouacida_sofiane@yahoo.fr

In the title compound, [Ni(C5H4N3O2)2(H2O)2]·2H2O, the NiII ion lies on an inversion center and is coordinated in an slightly distorted octahedral environment by two N,O-chelating 3-aminopyrazine-2-carboxylate (APZC) ligands in the equatorial plane and two trans-axial aqua ligands. In the crystal, O-H...O, N-H...O and O-H...N hydrogen bonds involving the solvent water molecules, aqua and APZC ligands form layers parallel to (010). These layers are linked further via O-H...O, N-H...O and C-H...O hydrogen bonds involving the axial aqua ligands, amino groups and the carboxylate groups of the APZC ligands, forming a three-dimensional network.

Related literature

For background to hybrid compounds, see: Bouchene et al. (2013[Bouchene, R., Bouacida, S., Berrah, F., Belhouas, R. & Merazig, H. (2013). Acta Cryst. E69, m129-m130.]); Bouacida et al. (2007[Bouacida, S., Merazig, H., Benard-Rocherulle, P. & Rizzoli, C. (2007). Acta Cryst. E63, m379-m381.], 2009[Bouacida, S., Belhouas, R., Kechout, H., Merazig, H. & Bénard-Rocherullé, P. (2009). Acta Cryst. E65, o628-o629.]). For the structure of the non-hydrated analogue, see: Ptasiewicz-Bak & Leciejewicz (1999[Ptasiewicz-Bak, H. & Leciejewicz, J. (1999). Pol. J. Chem. 73, 717-725.]). For 3-aminopyrazine-2-carboxylate-metal (M) complexes, see: Bouchene et al. (2013[Bouchene, R., Bouacida, S., Berrah, F., Belhouas, R. & Merazig, H. (2013). Acta Cryst. E69, m129-m130.]) [M = Co(II)]; Leciejewicz et al. (1997[Leciejewicz, J., Ptasiewicz-Bak, H. & Paluchowska, B. (1997). Pol. J. Chem. 71, 1339-1364.]) [M = Ca(II)]; Leciejewicz et al. (1998[Leciejewicz, J., Ptasiewicz-Bak, H. & Zachara, J. (1998). Pol. J. Chem. 72, 1994-1998.]) [M = Sr(II)]; Ptasiewicz-Bak & Leciejewicz (1997[Ptasiewicz-Bak, H. & Leciejewicz, J. (1997). Pol. J. Chem. 71, 1350-1358.]) [M = Mg(II)]; Tayebee et al. (2008[Tayebee, R., Amani, V. & Khavasi, H. P. (2008). Chin. J. Chem. 26, 500-504.]) [M = Na(I)]; Ptasiewicz-Bak & Leciejewicz (1999[Ptasiewicz-Bak, H. & Leciejewicz, J. (1999). Pol. J. Chem. 73, 717-725.]). For proprieties and applications of pyrazine-2-carboxylic acid, see: Zhang & Mitchison (2003[Zhang, Y. & Mitchison, D. A. (2003). Int. J. Tuberc. Lung Dis. 7,6-21.]); Manju & Chaudhary, (2010[Manju, A. & Chaudhary, D. (2010). Asian J. Chem. Environ. Res. 3, 13-17.]); Chanda & Sangeetika (2004[Chanda, S. & Sangeetika, J. (2004). J. Indian Chem. Soc. 81, 203-206.]).

[Scheme 1]

Experimental

Crystal data
  • [Ni(C5H4N3O2)2(H2O)2]·2H2O

  • Mr = 406.98

  • Monoclinic, P 21 /c

  • a = 9.7939 (15) Å

  • b = 5.1123 (9) Å

  • c = 16.776 (3) Å

  • [beta] = 115.838 (11)°

  • V = 756.0 (2) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.34 mm-1

  • T = 150 K

  • 0.18 × 0.16 × 0.15 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • 6200 measured reflections

  • 1326 independent reflections

  • 1121 reflections with I > 2[sigma](I)

  • Rint = 0.051

Refinement
  • R[F2 > 2[sigma](F2)] = 0.028

  • wR(F2) = 0.073

  • S = 1.04

  • 1326 reflections

  • 127 parameters

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

  • [Delta][rho]max = 0.36 e Å-3

  • [Delta][rho]min = -0.59 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H1A...O2Wi 0.83 (3) 1.97 (3) 2.789 (3) 169 (3)
O1W-H1B...O1ii 0.75 (3) 1.94 (3) 2.690 (3) 176 (4)
N3-H1N...O2Wiii 0.86 2.27 3.117 (3) 168
O2W-H2A...O2Wiv 0.77 (3) 2.12 (3) 2.867 (3) 164 (4)
O2W-H2B...N2v 0.78 (3) 2.03 (3) 2.792 (3) 168 (3)
N3-H2N...O2 0.86 2.10 2.733 (3) 130
N3-H2N...O2vi 0.86 2.20 2.871 (3) 135
C5-H5...O1Wvii 0.93 2.54 3.377 (4) 150
Symmetry codes: (i) -x+1, -y+1, -z+2; (ii) -x+1, -y, -z+2; (iii) -x, -y+1, -z+2; (iv) [-x, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]; (v) [x, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]; (vi) -x, -y, -z+2; (vii) x, y+1, z.

Data collection: APEX2 (Bruker, 2011[Bruker (2011). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2011[Bruker (2011). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SIR2002 (Burla et al., 2005[Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G. & Spagna, R. (2005). J. Appl. Cryst. 38, 381-388.]); 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.]) and DIAMOND (Brandenburg & Berndt, 2001[Brandenburg, K. & Berndt, M. (2001). DIAMOND. Crystal Impact, Bonn, Germany.]); 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: LH5610 ).


Acknowledgements

We are grateful to all personal of the LCATM laboratory, Université Oum El Bouaghi, Algeria, for their assistance. Thanks are due to MESRS and ATRST (Ministére de l'Enseignement Supérieur et de la Recherche Scientifique et l'Agence Thématique de Recherche en Sciences et Technologie - Algeria) via the PNR programm for financial support.

References

Bouacida, S., Belhouas, R., Kechout, H., Merazig, H. & Bénard-Rocherullé, P. (2009). Acta Cryst. E65, o628-o629.  [CSD] [CrossRef] [ChemPort] [details]
Bouacida, S., Merazig, H., Benard-Rocherulle, P. & Rizzoli, C. (2007). Acta Cryst. E63, m379-m381.  [CSD] [CrossRef] [ChemPort] [details]
Bouchene, R., Bouacida, S., Berrah, F., Belhouas, R. & Merazig, H. (2013). Acta Cryst. E69, m129-m130.  [CSD] [CrossRef] [ChemPort] [details]
Brandenburg, K. & Berndt, M. (2001). DIAMOND. Crystal Impact, Bonn, Germany.
Bruker (2011). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G. & Spagna, R. (2005). J. Appl. Cryst. 38, 381-388.  [ISI] [CrossRef] [ChemPort] [details]
Chanda, S. & Sangeetika, J. (2004). J. Indian Chem. Soc. 81, 203-206.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Leciejewicz, J., Ptasiewicz-Bak, H. & Paluchowska, B. (1997). Pol. J. Chem. 71, 1339-1364.
Leciejewicz, J., Ptasiewicz-Bak, H. & Zachara, J. (1998). Pol. J. Chem. 72, 1994-1998.  [ChemPort]
Manju, A. & Chaudhary, D. (2010). Asian J. Chem. Environ. Res. 3, 13-17.  [ChemPort]
Ptasiewicz-Bak, H. & Leciejewicz, J. (1997). Pol. J. Chem. 71, 1350-1358.  [ChemPort]
Ptasiewicz-Bak, H. & Leciejewicz, J. (1999). Pol. J. Chem. 73, 717-725.  [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Tayebee, R., Amani, V. & Khavasi, H. P. (2008). Chin. J. Chem. 26, 500-504.  [CSD] [CrossRef] [ChemPort]
Zhang, Y. & Mitchison, D. A. (2003). Int. J. Tuberc. Lung Dis. 7,6-21.  [PubMed] [ChemPort]


Acta Cryst (2013). E69, m309-m310   [ doi:10.1107/S1600536813012208 ]

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