Bis(3-amino­pyrazine-2-carboxyl­ato-κ2N1,O)diaqua­cobalt(II)

Bouchene, R.; Bouacida, S.; Berrah, F.; Belhouas, R.; Merazig, H.

doi:10.1107/S1600536813002183

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 (C-C) = 0.001 Å
R = 0.034
wR = 0.082
Data-to-parameter ratio = 43.2
Details

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

Rafika Bouchene,^a,^b Sofiane Bouacida,^c,^b ^* Fadila Berrah,^a,^b Ratiba Belhouas ^c and Hocine Merazig ^c

^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 Co^II 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-HO, O-HN and N-HO 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-HO 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); Dong et al. (2000); Kubota et al. (2006); Luo et al. (2004). For related pyrazine-2-carboxylate cobalt(II) complexes and their applications, see: Fan et al. (2007); Liu et al. (2007); McCleverty & Meyer (2004); Shi et al. (2011); Sun et al. (2004); Tanase et al. (2006). For the influence of hydrogen bonding in related systems, see: Bouacida et al. (2007, 2009).

Experimental

Crystal data

[Co(C₅H₄N₃O₂)₂(H₂O)₂]
M_r = 371.19
Monoclinic, C 2/c
a = 7.8823 (2) Å
b = 12.7467 (2) Å
c = 13.6851 (3) Å
= 91.918 (1)°
V = 1374.22 (5) Å³
Z = 4
Mo K radiation
= 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(I)
R_int = 0.041

Refinement

R[F² > 2(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
_max = 0.48 e Å^-3
_min = -0.38 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1W-H1WN2ⁱ	0.761 (18)	2.070 (18)	2.8254 (12)	172.2 (17)
O1W-H2WO52ⁱⁱ	0.762 (18)	1.898 (17)	2.6470 (12)	167.1 (16)
N3-H3AO51ⁱⁱⁱ	0.86	2.33	3.0525 (12)	141
N3-H3BO52	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); cell refinement: SAINT (Bruker, 2011); data reduction: SAINT; program(s) used to solve structure: SIR2002 (Burla et al., 2005); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012) and DIAMOND (Brandenburg & Berndt, 2001); software used to prepare material for publication: WinGX (Farrugia, 2012).

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

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