Tetra­aqua­(2,2′-bipyridine-5,5′-dicarboxyl­ato-κ2N,N′)nickel(II) dihydrate

Yang, H.

doi:10.1107/S1600536809035910

Volume 65
Part 10
Page m1207
October 2009

Received 2 September 2009
Accepted 5 September 2009
Online 12 September 2009

Key indicators
Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.002 Å
R = 0.025
wR = 0.065
Data-to-parameter ratio = 12.3
Details

Tetraaqua(2,2'-bipyridine-5,5'-dicarboxylato-²N,N')nickel(II) dihydrate

Hua Yang ^a ^*

^aDepartment of Chemistry, Mudanjiang Teachers College, Mudanjiang 157012, People's Republic of China
Correspondence e-mail: youngflower7799@yahoo.com.cn

In the title compound, [Ni(C₁₂H₆N₂O₄)(H₂O)₄]·2H₂O, obtained from a basic solution of 2,2'-bipyridine-5,5'-dicarboxylate and nickel(II) chloride in water, the central Ni(II) cation (site symmetry 2) is coordinated by two N atoms from the 2,2'-bipyridine-5,5'-dicarboxylate ligand and four aqua O atoms. The N-Ni-N angle is 78.64 (8)°. Weak but significant [pi] - [pi] stacking interactions exist between the pyridine rings with a centroid-centroid distance of 3.652 (8) Å. In addition, four O atoms of the two carboxyl groups form hydrogen bonds with both coordinated and uncoordinated water molecules, forming an infinite three-dimensional network.

Related literature

For attempts to synthesize 5,5'- and 6,6'-substituted 2,2'-bipyridine derivatives, see: He et al. (2009); Karaca et al. (2009); Yousefi et al. (2008).

Experimental

Crystal data

[Ni(C₁₂H₆N₂O₄)(H₂O)₄]·2H₂O
M_r = 408.97
Monoclinic, C 2/c
a = 12.4787 (2) Å
b = 9.8152 (2) Å
c = 12.6533 (2) Å
= 92.107 (2)°
V = 1548.74 (5) Å³
Z = 4
Mo K radiation
= 1.31 mm^-1
T = 120 K
0.18 × 0.16 × 0.10 mm

Data collection

Bruker APEXII CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2005) T_min = 0.730, T_max = 0.828
8276 measured reflections
1691 independent reflections
1379 reflections with I > 2(I)
R_int = 0.037

Refinement

R[F² > 2(F²)] = 0.025
wR(F²) = 0.065
S = 0.98
1691 reflections
138 parameters
6 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.44 e Å^-3
_min = -0.33 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O5-H52O3ⁱ	0.837 (10)	2.178 (16)	2.9566 (19)	155 (3)
O2-H22O3ⁱⁱ	0.834 (10)	1.921 (12)	2.7410 (18)	168 (3)
O5-H51O4ⁱⁱⁱ	0.834 (10)	1.913 (11)	2.7286 (19)	166 (2)
O2-H21O4^iv	0.833 (10)	1.852 (10)	2.6831 (17)	175 (2)
O1-H11O4^iv	0.843 (9)	2.650 (17)	3.1740 (18)	121.6 (16)
O1-H11O3^iv	0.843 (9)	2.097 (10)	2.9386 (18)	175.9 (19)
O1-H12O5	0.834 (10)	1.861 (11)	2.688 (2)	171 (3)
Symmetry codes: (i) $[x-{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ ; (ii) $[x, -y, z-{\script{1\over 2}}]$ ; (iii) -x, -y+1, -z+2; (iv) $[-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+2]$ .

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NG2636 ).

Acknowledgements

The author thanks the financial support of Natural Foundation of Heilongjiang Province.

References

Bruker, (2005). APEX2, SAINT and SADABS. Bruker AXS, Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.
He, X., Qu, G.-R., Deng, D. & Ji, B. (2009). Acta Cryst. E65, o985.
Karaca, S., Akkurt, M., Safari, N., Amani, V., Büyükgüngör, O. & Abedi, A. (2009). Acta Cryst. E65, m335-m336.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Yousefi, M., Khalighi, A., Tadayon Pour, N., Amani, V. & Khavasi, H. R. (2008). Acta Cryst. E64, m1284-m1285.

metal-organic compounds

Tetraaqua(2,2'-bipyridine-5,5'-dicarboxylato-2N,N')nickel(II) dihydrate