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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 [sigma](C-C) = 0.008 Å
R = 0.099
wR = 0.272
Data-to-parameter ratio = 15.3
Details
Open access

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

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 NiII 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 NiII ion in a monodentate manner through a carboxylate O atom. In the crystal, O-H...O 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[Daniele, P. G., Foti, C., Gianguzza, A., Prenesti, E. & Sammartano, S. (2008). Coord. Chem. Rev. 252, 1093-1107.]); Parkin (2004[Parkin, G. (2004). Chem. Rev. 104, 699-767.]). For the crystal structures of related 4-chlorophenoxyacetate complexes, see: Liwporncharoenvong & Luck (2005[Liwporncharoenvong, T. & Luck, R. L. (2005). Acta Cryst. E61, m1191-m1193.]); Smith et al. (1980[Smith, G., O'Reilly, E. J. & Kennard, C. H. L. (1980). J. Chem. Soc. Dalton Trans. pp. 2462-2466.]); Wang et al. (2008[Wang, Z., Liu, D. S., Zhang, H. H., Huang, C. C., Cao, Y. N. & Yu, X. H. (2008). J. Coord. Chem. 61, 419-425.]).

[Scheme 1]

Experimental

Crystal data
  • [Ni(C8H6ClO3)2(H2O)4]

  • Mr = 501.93

  • Triclinic, [P \overline 1]

  • a = 4.894 (3) Å

  • b = 5.769 (4) Å

  • c = 18.369 (9) Å

  • [alpha] = 97.226 (3)°

  • [beta] = 90.088 (4)°

  • [gamma] = 96.796 (4)°

  • V = 510.8 (5) Å3

  • Z = 1

  • Cu K[alpha] radiation

  • [mu] = 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.]) Tmin = 0.226, Tmax = 1.000

  • 4607 measured reflections

  • 2059 independent reflections

  • 1759 reflections with I > 2[sigma](I)

  • Rint = 0.052

Refinement
  • R[F2 > 2[sigma](F2)] = 0.099

  • wR(F2) = 0.272

  • S = 1.13

  • 2059 reflections

  • 135 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 2.78 e Å-3

  • [Delta][rho]min = -1.32 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O2W-H2WA...O3 0.87 1.93 2.679 (4) 144
O2W-H2WB...O1Wi 0.87 2.01 2.843 (4) 162
O1W-H1WA...O3ii 0.86 1.98 2.732 (4) 145
O1W-H1WB...O1iii 0.86 2.21 2.978 (4) 148
O1W-H1WB...O2iii 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[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: XP in SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]) and PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]); 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.  [ISI] [CrossRef] [ChemPort]
Liwporncharoenvong, T. & Luck, R. L. (2005). Acta Cryst. E61, m1191-m1193.  [CSD] [CrossRef] [details]
Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.
Parkin, G. (2004). Chem. Rev. 104, 699-767.  [ISI] [CrossRef] [PubMed] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Smith, G., O'Reilly, E. J. & Kennard, C. H. L. (1980). J. Chem. Soc. Dalton Trans. pp. 2462-2466.  [CrossRef]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [details]
Wang, Z., Liu, D. S., Zhang, H. H., Huang, C. C., Cao, Y. N. & Yu, X. H. (2008). J. Coord. Chem. 61, 419-425.  [ISI] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2012). E68, m1464  [ doi:10.1107/S1600536812045540 ]

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