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Volume 69 
Part 2 
Pages m129-m130  
February 2013  

Received 17 January 2013
Accepted 22 January 2013
Online 31 January 2013

Key indicators
Single-crystal X-ray study
T = 295 K
Mean [sigma](C-C) = 0.001 Å
R = 0.034
wR = 0.082
Data-to-parameter ratio = 43.2
Details
Open access

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

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 Mentouri Constantine 25000, Algeria
Correspondence e-mail: bouacida_sofiane@yahoo.fr

In the title compound, [Co(C5H4N3O2)2(H2O)2], the CoII atom is situated on a twofold rotation axis and is N,O-chelated by two 3-aminopyrazine-2-carboxylate anions and additionally bonded to the O atoms of two water molecules, leading to a slightly distorted octahedral coordination environment. The crystal packing is dominated by intermolecular O-H...O, O-H...N and N-H...O hydrogen bonding involving the water molecules and amino groups as donors and carboxylate O atoms, as well as the non-coordinating heterocyclic N atoms as acceptors, resulting in a three-dimensional network. An intramolecular N-H...O hydrogen bond is also observed.

Related literature

For the role of N,O-coordination in the crystal structures of metal complexes with pyrazine-2-carboxylate as ligand, see: Alcock et al. (1996[Alcock, N. W., Kemp, T. J., Marc Roe, S. & Leciejewicz, J. (1996). Inorg. Chim. Acta, 248, 241-246.]); Dong et al. (2000[Dong, Y.-B., Smith, M. D. & zur Loye, H.-C. (2000). Inorg. Chem. 39, 1943-1949.]); Kubota et al. (2006[Kubota, Y., Takata, M., Matsuda, R., Kitaura, R., Kitagawa, S. & Kobayashi, T. C. (2006). Angew. Chem. Int. Ed. 45, 4932-4936.]); Luo et al. (2004[Luo, J., Alexander, B., Wagner, T. R. & Maggard, P. A. (2004). Inorg. Chem. 43, 5537-5542.]). For related pyrazine-2-carboxylate cobalt(II) complexes and their applications, see: Fan et al. (2007[Fan, G., Chen, S.-P. & Gao, S.-L. (2007). Acta Cryst. E63, m772-m773.]); Liu et al. (2007[Liu, F.-Y., Shang, R.-L., Du, L., Zhao, Q.-H. & Fang, R.-B. (2007). Acta Cryst. E63, m120-m122.]); McCleverty & Meyer (2004[McCleverty, J. A. & Meyer, T. J. (2004). Comprehensive Coordination Chemistry II. From Biology to Nanotechnology, Vol. 6, Transition Metal Groups 9-12, pp. 99-120. Amsterdam: Elsevier Pergamon.]); Shi et al. (2011[Shi, Q.-Y., Zhang, G.-C., Zhou, C.-S. & Yang, Q. (2011). Acta Cryst. E67, m1430.]); Sun et al. (2004[Sun, W.-H., Tang, X., Gao, T., Wu, B., Zhang, W. & Ma, H. (2004). Organometallics, 23, 5037-5041.]); Tanase et al. (2006[Tanase, S., Martin, V. S., Van Albada, G. A., DeGelder, R., Bouwman, E. & Reedijk, J. (2006). Polyhedron, 25, 2967-2975.]). For the influence of hydrogen bonding in related systems, see: 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.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C5H4N3O2)2(H2O)2]

  • Mr = 371.19

  • Monoclinic, C 2/c

  • a = 7.8823 (2) Å

  • b = 12.7467 (2) Å

  • c = 13.6851 (3) Å

  • [beta] = 91.918 (1)°

  • V = 1374.22 (5) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.29 mm-1

  • T = 295 K

  • 0.11 × 0.09 × 0.05 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • 17706 measured reflections

  • 4800 independent reflections

  • 3043 reflections with I > 2[sigma](I)

  • Rint = 0.041

Refinement
  • R[F2 > 2[sigma](F2)] = 0.034

  • wR(F2) = 0.082

  • S = 0.92

  • 4800 reflections

  • 111 parameters

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

  • [Delta][rho]max = 0.48 e Å-3

  • [Delta][rho]min = -0.38 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H1W...N2i 0.761 (18) 2.070 (18) 2.8254 (12) 172.2 (17)
O1W-H2W...O52ii 0.762 (18) 1.898 (17) 2.6470 (12) 167.1 (16)
N3-H3A...O51iii 0.86 2.33 3.0525 (12) 141
N3-H3B...O52 0.86 2.07 2.7036 (13) 130
Symmetry codes: (i) [x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]; (ii) [x+{\script{1\over 2}}, y+{\script{1\over 2}}, z]; (iii) [x, -y, z+{\script{1\over 2}}].

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: WM2721 ).


Acknowledgements

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

References

Alcock, N. W., Kemp, T. J., Marc Roe, S. & Leciejewicz, J. (1996). Inorg. Chim. Acta, 248, 241-246.  [CrossRef] [ChemPort]
Bouacida, S., Belhouas, R., Kechout, H., Merazig, H. & Bénard-Rocherullé, P. (2009). Acta Cryst. E65, o628-o629.  [CSD] [CrossRef] [details]
Bouacida, S., Merazig, H., Benard-Rocherulle, P. & Rizzoli, C. (2007). Acta Cryst. E63, m379-m381.  [CSD] [CrossRef] [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]
Dong, Y.-B., Smith, M. D. & zur Loye, H.-C. (2000). Inorg. Chem. 39, 1943-1949.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Fan, G., Chen, S.-P. & Gao, S.-L. (2007). Acta Cryst. E63, m772-m773.  [CSD] [CrossRef] [details]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Kubota, Y., Takata, M., Matsuda, R., Kitaura, R., Kitagawa, S. & Kobayashi, T. C. (2006). Angew. Chem. Int. Ed. 45, 4932-4936.  [ISI] [CSD] [CrossRef] [ChemPort]
Liu, F.-Y., Shang, R.-L., Du, L., Zhao, Q.-H. & Fang, R.-B. (2007). Acta Cryst. E63, m120-m122.  [CSD] [CrossRef] [details]
Luo, J., Alexander, B., Wagner, T. R. & Maggard, P. A. (2004). Inorg. Chem. 43, 5537-5542.  [ISI] [CrossRef] [PubMed] [ChemPort]
McCleverty, J. A. & Meyer, T. J. (2004). Comprehensive Coordination Chemistry II. From Biology to Nanotechnology, Vol. 6, Transition Metal Groups 9-12, pp. 99-120. Amsterdam: Elsevier Pergamon.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Shi, Q.-Y., Zhang, G.-C., Zhou, C.-S. & Yang, Q. (2011). Acta Cryst. E67, m1430.  [CrossRef] [details]
Sun, W.-H., Tang, X., Gao, T., Wu, B., Zhang, W. & Ma, H. (2004). Organometallics, 23, 5037-5041.  [CrossRef] [ChemPort]
Tanase, S., Martin, V. S., Van Albada, G. A., DeGelder, R., Bouwman, E. & Reedijk, J. (2006). Polyhedron, 25, 2967-2975.  [ISI] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m129-m130   [ doi:10.1107/S1600536813002183 ]

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