Bis(μ-N-benzyl-N-furfuryldithio­carbamato)-1:2κ3S,S′:S′;2:1κ3S,S′:S′-bis­[(N-benzyl-N-furfuryldithio­carbamato-κ2S,S′)cadmium]

Kant, R.; Gupta, V.K.; Kapoor, K.; Valarmathi, P.; Thirumaran, S.

doi:10.1107/S1600536811051348

Volume 68
Part 1
Pages m12-m13
January 2012

Received 2 November 2011
Accepted 29 November 2011
Online 3 December 2011

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.005 Å
Disorder in main residue
R = 0.029
wR = 0.067
Data-to-parameter ratio = 16.0
Details

Bis(-N-benzyl-N-furfuryldithiocarbamato)-1:2³S,S':S';2:1³S,S':S'-bis[(N-benzyl-N-furfuryldithiocarbamato-²S,S')cadmium]

Rajni Kant,^a ^* Vivek K. Gupta,^a Kamini Kapoor,^a P. Valarmathi ^b and S. Thirumaran ^b

^aX-ray Crystallography Laboratory, Post-Graduate Department of Physics & Electronics, University of Jammu, Jammu Tawi 180 006, India, and ^bDepartment of Chemistry, Annamalai University, Annamalainagar 608 002, India
Correspondence e-mail: rkvk.paper11@gmail.com

In the centrosymmetric title compound, [Cd₂(C₁₃H₁₂NOS₂)₄], pairs of dithiocarbamate ligands exhibit different structural functions. Each of the terminal ligands is bidentately coordinated to one Cd^II atom and forms a planar four-membered CS₂Cd chelate ring, whereas pairs of the tridentate bridging ligands link two neighbouring Cd^II atoms, forming extended eight-membered C₂S₄Cd₂ tricyclic units whose geometry can be approximated by a chair conformation. The coordination polyhedron of the Cd^II atoms is a distorted square-pyramid. The five-membered furan ring and the benzene ring are disordered over two sets of sites with an occupancy ratio of 0.62 (8):0.38 (8).

Related literature

For related structures, see: Ivanov et al. (2006); Onwudiwe & Ajibade (2010); Yin et al. (2004). For the solid state structural chemistry of group XII 1,1-dithiolates, see: Tiekink (2003). Metal dithiocarbamate complexes can act as single source precursors in the synthesis of novel metal sulfide nanomaterials, see: Ajibade et al. (2011); Bera et al. (2010); Thomas et al. (2011). For the effect of organic substituents on the deposition temperature and deposition mechanisms, see: Pickett & O'Brien (2001).

Experimental

Crystal data

[Cd₂(C₁₃H₁₂NOS₂)₄]
M_r = 1274.22
Monoclinic, P 2₁ /n
a = 10.7922 (3) Å
b = 14.7253 (6) Å
c = 16.9352 (6) Å
= 97.383 (3)°
V = 2669.00 (16) Å³
Z = 2
Mo K radiation
= 1.16 mm^-1
T = 298 K
0.3 × 0.2 × 0.2 mm

Data collection

Oxford Diffraction Xcalibur Sapphire3 diffractometer
Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2007 $[Oxford Diffraction (2007). CrysAlis PRO and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.]$ ) T_min = 0.976, T_max = 1.000
25547 measured reflections
5392 independent reflections
4546 reflections with I > 2(I)
R_int = 0.022

Refinement

R[F² > 2(F²)] = 0.029
wR(F²) = 0.067
S = 1.04
5392 reflections
337 parameters
50 restraints
H-atom parameters constrained
_max = 0.46 e Å^-3
_min = -0.28 e Å^-3

Data collection: CrysAlis PRO (Oxford Diffraction, 2007 $[Oxford Diffraction (2007). CrysAlis PRO and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.]$ ); 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: NC2254 ).

Acknowledgements

RK acknowledges the Department of Science & Technology for single-crystal X-ray diffractometer sanctioned as a National Facility under project No. SR/S2/CMP-47/2003. He is also thankful to the University of Jammu for financial support.

References

Ajibade, P. A., Onwudiwe, D. C. & Moloto, M. J. (2011). Polyhedron, 30, 246-218.
Bera, P., Kim, C. H. & Seok, S. I. (2010). Solid State Sci. 12, 532-535.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
Ivanov, A. V., Gerasimenko, A. V., Konzelko, A. A., Ivanov, M. A., Antzutkin, O. N. & Forsling, W. (2006). Inorg. Chim. Acta, 359, 3855-3864.
Nardelli, M. (1995). J. Appl. Cryst. 28, 659.
Onwudiwe, D. C. & Ajibade, P. A. (2010). Polyhedron, 29, 1431-1436.
Oxford Diffraction (2007). CrysAlis PRO and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.
Pickett, N. L. & O'Brien, P. (2001). Chem. Rec. 1, 467-479.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.
Thomas, P. J., Fan, D. & O'Brien, P. (2011). J. Colloid. Interface Sci. 354, 210-218.
Tiekink, E. R. T. (2003). CrystEngComm, 5, 101-113.
Yin, X., Zhang, W., Zhang, Q., Fan, J., Lai, C. S. & Tiekink, E. R. T. (2004). Appl. Organomet. Chem. 18, 139-140.