trans-Tetra­aqua­bis­[2-(4-chloro­phen­oxy)acetato-κO1]nickel(II)

Ashurov, J.; Ziyaev, M.; Ibragimov, B.; Talipov, S.

doi:10.1107/S1600536812045540

Volume 68
Part 12
Page m1464
December 2012

Received 11 October 2012
Accepted 4 November 2012
Online 10 November 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.008 Å
R = 0.099
wR = 0.272
Data-to-parameter ratio = 15.3
Details

trans-Tetraaquabis[2-(4-chlorophenoxy)acetato-O¹]nickel(II)

Jamshid Ashurov,^a Mavlonbek Ziyaev,^a ^* Bakhtiyar Ibragimov ^a and Samat Talipov ^a

^aInstitute of Bioorganic Chemistry, Academy of Sciences of Uzbekistan, M. Ulugbek Str. 83, Tashkent, 700125 Uzbekistan
Correspondence e-mail: mavlonbek.ziyaev@mail.ru

In the title compound, [Ni(C₈H₆ClO₃)₂(H₂O)₄], the Ni^II ion is located on a crystallographic inversion centre and is octahedrally coordinated by two 2-(4-chlorophenoxy)acetate ligands in axial positions and by four water molecules in the equatorial plane. The acetate ligands are bound to the Ni^II ion in a monodentate manner through a carboxylate O atom. In the crystal, O-HO hydrogen bonds link the molecules, forming a two-dimensional supramolecular network lying parallel to the ab plane.

Related literature

For interactions of metal ions with amino acids, see: Daniele et al. (2008); Parkin (2004). For the crystal structures of related 4-chlorophenoxyacetate complexes, see: Liwporncharoenvong & Luck (2005); Smith et al. (1980); Wang et al. (2008).

Experimental

Crystal data

[Ni(C₈H₆ClO₃)₂(H₂O)₄]
M_r = 501.93
Triclinic, $[P \overline 1]$
a = 4.894 (3) Å
b = 5.769 (4) Å
c = 18.369 (9) Å
= 97.226 (3)°
= 90.088 (4)°
= 96.796 (4)°
V = 510.8 (5) Å³
Z = 1
Cu K radiation
= 4.25 mm^-1
T = 293 K
0.45 × 0.22 × 0.2 mm

Data collection

Oxford Diffraction Xcalibur Ruby diffractometer
Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2009 $[Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.]$ ) T_min = 0.226, T_max = 1.000
4607 measured reflections
2059 independent reflections
1759 reflections with I > 2(I)
R_int = 0.052

Refinement

R[F² > 2(F²)] = 0.099
wR(F²) = 0.272
S = 1.13
2059 reflections
135 parameters
H-atom parameters constrained
_max = 2.78 e Å^-3
_min = -1.32 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O2W-H2WAO3	0.87	1.93	2.679 (4)	144
O2W-H2WBO1Wⁱ	0.87	2.01	2.843 (4)	162
O1W-H1WAO3ⁱⁱ	0.86	1.98	2.732 (4)	145
O1W-H1WBO1ⁱⁱⁱ	0.86	2.21	2.978 (4)	148
O1W-H1WBO2ⁱⁱⁱ	0.86	2.18	2.861 (4)	135
Symmetry codes: (i) x-1, y, z; (ii) -x+2, -y, -z+1; (iii) -x+3, -y+1, -z+1.

Data collection: CrysAlis PRO (Oxford Diffraction, 2009 $[Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.]$ ); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SU2512 ).

Acknowledgements

This work was supported by a Grant for Fundamental Research from the Center of Science and Technology, Uzbekistan (No. F7-T04841)

References

Daniele, P. G., Foti, C., Gianguzza, A., Prenesti, E. & Sammartano, S. (2008). Coord. Chem. Rev. 252, 1093-1107.
Liwporncharoenvong, T. & Luck, R. L. (2005). Acta Cryst. E61, m1191-m1193.
Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.
Parkin, G. (2004). Chem. Rev. 104, 699-767.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Smith, G., O'Reilly, E. J. & Kennard, C. H. L. (1980). J. Chem. Soc. Dalton Trans. pp. 2462-2466.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.
Wang, Z., Liu, D. S., Zhang, H. H., Huang, C. C., Cao, Y. N. & Yu, X. H. (2008). J. Coord. Chem. 61, 419-425.