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Volume 68 
Part 12 
Page m1483  
December 2012  

Received 4 November 2012
Accepted 9 November 2012
Online 14 November 2012

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Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.002 Å
R = 0.023
wR = 0.062
Data-to-parameter ratio = 21.1
Details
Open access

Bis[O-methyl (4-ethoxyphenyl)dithiophosphonato-[kappa]2S,S']nickel(II)

Shirveen Sewpersad,a Bernard Omondia and Werner E. Van Zyla*

aSchool of Chemistry and Physics, University of KwaZulu-Natal, Westville Campus, Private Bag X54001, Durban 4000, South Africa
Correspondence e-mail: vanzylw@ukzn.ac.za

In the title compound, [Ni(C9H12O2PS2)2], the NiII atom resides on an inversion center and is coordinated by four S atoms [Ni-S = 2.2328 (4) and 2.2455 (3) Å] in a distorted square-planar geometry [S-Ni-S = 88.443 (13) and 91.557 (13)°]. In the crystal, molecules related by translation in [110] are linked into chains via weak C-H...O interactions. The crystal packing exhibits short intermolecular S...S contacts of 3.3366 (5) Å.

Related literature

For information on dithiophosphonate compounds, see: Van Zyl & Fackler (2000[Van Zyl, W. E. & Fackler, J. P. (2000). Phosphorus Sulfur Silicon Relat. Elem. 167, 117-132.]); Van Zyl (2010[Van Zyl, W. E. (2010). Comments Inorg. Chem. 31, 13-45.]); Van Zyl & Woollins (2012[Van Zyl, W. E. & Woollins, J. D. (2012). Coord. Chem. Rev. doi:10.1016/j.ccr.2012.10.010.]). For related structures of nickel(II) dithiophosphonate complexes, see: Hartung (1967[Hartung, H. (1967). Z. Chem. 7, 241.]); Liu et al. (2004[Liu, H.-L., Mao, H.-Y., Xu, C., Zhang, H.-Y., Hou, H.-W., Wu, Q., Zhu, Y., Ye, B.-X. & Yuan, L.-J. (2004). Polyhedron, 23, 1799-1804.]); Gray et al. (2004[Gray, I. P., Slawin, A. M. Z. & Woollins, J. D. (2004). Dalton Trans. pp. 2477-2486.]); Aragoni et al. (2007[Aragoni, M. C., Arca, M., Devillanova, F. A., Hursthouse, M. B., Huth, S. L., Isaia, F., Lippolis, V., Mancini, A., Soddu, S. & Verani, G. (2007). Dalton Trans. pp. 2127-2134.]); Arca et al. (1997[Arca, M., Cornia, A., Devillanova, F. A., Fabretti, A. C., Isaia, F., Lippolis, V. & Verani, G. (1997). Inorg. Chim. Acta, 262, 81-84.]); Özcan et al. (2002[Özcan, Y., Ide, S., Karakus, M. & Yilmaz, H. (2002). Acta Cryst. C58, m388-m389.]).

[Scheme 1]

Experimental

Crystal data

  • [Ni(C9H12O2PS2)2]

  • Mr = 553.26

  • Monoclinic, P 21 /c

  • a = 13.5866 (5) Å

  • b = 6.4212 (2) Å

  • c = 14.1047 (5) Å

  • [beta] = 109.389 (2)°

  • V = 1160.74 (7) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.36 mm-1

  • T = 173 K

  • 0.43 × 0.31 × 0.24 mm
Data collection

  • Bruker SMART APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2008[Bruker (2008). APEX2, SAINT-Plus, XPREP and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.593, Tmax = 0.737

  • 19824 measured reflections

  • 2850 independent reflections

  • 2609 reflections with I > 2[sigma](I)

  • Rint = 0.036
Refinement

  • R[F2 > 2[sigma](F2)] = 0.023

  • wR(F2) = 0.062

  • S = 1.07

  • 2850 reflections

  • 135 parameters

  • 2 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.56 e Å-3

  • [Delta][rho]min = -0.44 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C3-H3...O1i 0.95 2.57 3.5123 (18) 171
Symmetry code: (i) -x+1, -y+1, -z+2.

Data collection: APEX2 (Bruker, 2008[Bruker (2008). APEX2, SAINT-Plus, XPREP and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2008[Bruker (2008). APEX2, SAINT-Plus, XPREP and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT-Plus and XPREP (Bruker, 2008[Bruker (2008). APEX2, SAINT-Plus, XPREP and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CV5358 ).

Acknowledgements

The authors thank the National Research Foundation (NRF) and UKZN for financial support.

References

Aragoni, M. C., Arca, M., Devillanova, F. A., Hursthouse, M. B., Huth, S. L., Isaia, F., Lippolis, V., Mancini, A., Soddu, S. & Verani, G. (2007). Dalton Trans. pp. 2127-2134.  [CSD] [CrossRef]
Arca, M., Cornia, A., Devillanova, F. A., Fabretti, A. C., Isaia, F., Lippolis, V. & Verani, G. (1997). Inorg. Chim. Acta, 262, 81-84.  [CrossRef] [ChemPort] [ISI]
Bruker (2008). APEX2, SAINT-Plus, XPREP and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Gray, I. P., Slawin, A. M. Z. & Woollins, J. D. (2004). Dalton Trans. pp. 2477-2486.  [CSD] [CrossRef]
Hartung, H. (1967). Z. Chem. 7, 241.  [CrossRef]
Liu, H.-L., Mao, H.-Y., Xu, C., Zhang, H.-Y., Hou, H.-W., Wu, Q., Zhu, Y., Ye, B.-X. & Yuan, L.-J. (2004). Polyhedron, 23, 1799-1804.  [ISI] [CSD] [CrossRef] [ChemPort]
Özcan, Y., Ide, S., Karakus, M. & Yilmaz, H. (2002). Acta Cryst. C58, m388-m389.  [CSD] [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Van Zyl, W. E. (2010). Comments Inorg. Chem. 31, 13-45.  [ISI] [CrossRef] [ChemPort]
Van Zyl, W. E. & Fackler, J. P. (2000). Phosphorus Sulfur Silicon Relat. Elem. 167, 117-132.  [CrossRef] [ChemPort]
Van Zyl, W. E. & Woollins, J. D. (2012). Coord. Chem. Rev. doi:10.1016/j.ccr.2012.10.010.

Acta Cryst (2012). E68, m1483  [ doi:10.1107/S1600536812046314 ]

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