Bis(O-ethyl dithio­carbonato-κ2S,S′)bis­(pyridine-3-carbonitrile-κN1)nickel(II)

Kapoor, S.; Kour, R.; Sachar, R.; Kant, R.; Gupta, V.K.; Kapoor, K.

doi:10.1107/S1600536811053475

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 (C-C) = 0.003 Å
R = 0.025
wR = 0.060
Data-to-parameter ratio = 14.4
Details

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

Sanjay Kapoor,^a Ramandeep Kour,^b Renu Sachar,^a Rajni Kant,^b ^* Vivek K. Gupta ^b and Kamini Kapoor ^b

^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-HS and C-HN interactions are observed.

Related literature

For related structures, see: Tiekink & Haiduc (2005); Dakternieks et al. (2006); Hill & Tiekink (2007); Hogarth et al. (2009)

Experimental

Crystal data

[Ni(C₃H₅OS₂)₂(C₆H₄N₂)₂]
M_r = 509.31
Monoclinic, P 2₁ /c
a = 6.7302 (2) Å
b = 18.8959 (5) Å
c = 8.7242 (2) Å
= 95.916 (2)°
V = 1103.58 (5) Å³
Z = 2
Mo K radiation
= 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 $[Oxford Diffraction (2007). CrysAlis PRO. Oxford Diffraction Ltd, Abingdon, England.]$ ) T_min = 0.728, T_max = 1.000
18847 measured reflections
1930 independent reflections
1723 reflections with I > 2(I)
R_int = 0.036

Refinement

R[F² > 2(F²)] = 0.025
wR(F²) = 0.060
S = 1.07
1930 reflections
134 parameters
H-atom parameters constrained
_max = 0.23 e Å^-3
_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-HA	D-H	HA	DA	D-HA
C9-H9AS2ⁱ	0.97	2.85	3.455 (2)	121
C10-H10CN2ⁱⁱ	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); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: PLATON (Spek, 2009) and PARST (Nardelli, 1995).

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