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Volume 68 
Part 1 
Page m58  
January 2012  

Received 28 November 2011
Accepted 12 December 2011
Online 17 December 2011

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.003 Å
R = 0.025
wR = 0.060
Data-to-parameter ratio = 14.4
Details
Open access

Bis(O-ethyl dithiocarbonato-[kappa]2S,S')bis(pyridine-3-carbonitrile-[kappa]N1)nickel(II)

aDepartment of Chemistry, University of Jammu, Jammu Tawi 180 006, India, and bX-ray Crystallography Laboratory, Post-Graduate Department of Physics & Electronics, University of Jammu, Jammu Tawi 180 006, India
Correspondence e-mail: rkvk.paper11@gmail.com

The Ni2+ ion in the title complex, [Ni(C3H5OS2)2(C6H4N2)2], is in a strongly distorted octahedral coordination environment formed by an N2S4 donor set, with the Ni2+ ion located on a centre of inversion. In the crystal, weak C-H...S and C-H...N interactions are observed.

Related literature

For related structures, see: Tiekink & Haiduc (2005[Tiekink, E. R. T. & Haiduc, I. (2005). Prog. Inorg. Chem. 54, 127-319.]); Dakternieks et al. (2006[Dakternieks, D., Duthie, A., Lai, C.-S. & Tiekink, E. R. T. (2006). Acta Cryst. E62, m3006-m3008.]); Hill & Tiekink (2007[Hill, D. D. & Tiekink, E. R. T. (2007). Acta Cryst. E63, m2808.]); Hogarth et al. (2009[Hogarth, G., Rainford-Brent, E. J. C. R. C. R. & Richards, I. (2009). Inorg. Chim. Acta, 362, 1361-1364.])

[Scheme 1]

Experimental

Crystal data
  • [Ni(C3H5OS2)2(C6H4N2)2]

  • Mr = 509.31

  • Monoclinic, P 21 /c

  • a = 6.7302 (2) Å

  • b = 18.8959 (5) Å

  • c = 8.7242 (2) Å

  • [beta] = 95.916 (2)°

  • V = 1103.58 (5) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.28 mm-1

  • T = 293 K

  • 0.3 × 0.3 × 0.1 mm

Data collection
  • Oxford Diffraction Xcalibur Sapphire3 diffractometer

  • Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2007[Oxford Diffraction (2007). CrysAlis PRO. Oxford Diffraction Ltd, Abingdon, England.]) Tmin = 0.728, Tmax = 1.000

  • 18847 measured reflections

  • 1930 independent reflections

  • 1723 reflections with I > 2[sigma](I)

  • Rint = 0.036

Refinement
  • R[F2 > 2[sigma](F2)] = 0.025

  • wR(F2) = 0.060

  • S = 1.07

  • 1930 reflections

  • 134 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.23 e Å-3

  • [Delta][rho]min = -0.22 e Å-3

Table 1
Selected bond lengths (Å)

Ni1-N1 2.1273 (17)
Ni1-S1 2.4335 (5)
Ni1-S2 2.4450 (6)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C9-H9A...S2i 0.97 2.85 3.455 (2) 121
C10-H10C...N2ii 0.96 2.65 3.595 (4) 169
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) -x, -y+1, -z+2.

Data collection: CrysAlis PRO (Oxford Diffraction, 2007[Oxford Diffraction (2007). CrysAlis PRO. Oxford Diffraction Ltd, Abingdon, 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: ORTEP-3 (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]); software used to prepare material for publication: PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]) and PARST (Nardelli, 1995[Nardelli, M. (1995). J. Appl. Cryst. 28, 659.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: GK2438 ).


Acknowledgements

RK acknowledges the Department of Science & Technology for the single-crystal X-ray diffractometer sanctioned as a National Facility under project No. SR/S2/CMP-47/2003. He is also thankful to the UGC for research funding under research project F.No. 37?4154/2009 (J&K) (SR).

References

Dakternieks, D., Duthie, A., Lai, C.-S. & Tiekink, E. R. T. (2006). Acta Cryst. E62, m3006-m3008.  [CSD] [CrossRef] [details]
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Hill, D. D. & Tiekink, E. R. T. (2007). Acta Cryst. E63, m2808.  [CSD] [CrossRef] [details]
Hogarth, G., Rainford-Brent, E. J. C. R. C. R. & Richards, I. (2009). Inorg. Chim. Acta, 362, 1361-1364.  [ISI] [CSD] [CrossRef] [ChemPort]
Nardelli, M. (1995). J. Appl. Cryst. 28, 659.  [CrossRef] [details]
Oxford Diffraction (2007). CrysAlis PRO. Oxford Diffraction Ltd, Abingdon, England.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [details]
Tiekink, E. R. T. & Haiduc, I. (2005). Prog. Inorg. Chem. 54, 127-319.  [CrossRef] [ChemPort]


Acta Cryst (2012). E68, m58  [ doi:10.1107/S1600536811053475 ]

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