[Journal logo]

Volume 69 
Part 8 
Page m457  
August 2013  

Received 6 July 2013
Accepted 11 July 2013
Online 17 July 2013

Key indicators
Single-crystal X-ray study
T = 292 K
Mean [sigma](C-C) = 0.003 Å
Disorder in main residue
R = 0.026
wR = 0.074
Data-to-parameter ratio = 20.3
Details
Open access

Bis{N-benzyl-N-[2-(thiophen-2-yl)ethyl]dithiocarbamato-[kappa]2S,S'}lead(II)

aDepartment of Chemistry, Annamalai University, Annamalainagar 608 002, India,bLaboratory of X-ray Crystallography, Indian Institute of Chemical Technology, Hyderabad 500 007, India, and cDepartment of Physics, Kalasalingam University, Krishnankoil 626 126, India
Correspondence e-mail: s_selvanayagam@rediffmail.com

The molecule of the title compound, [Pb(C14H14NS3)2], is located on a twofold rotation axis. The dithiocarbamate anion S,S'-chelates to the PbII atom, which shows a [Psi]-trigonal-bipyramidal coordination. The thiophene ring is disordered over two positions, the major component having 71.3 (7)% occupancy. The molecular conformation is stabilized by intramolecular C-H...S interactions.

Related literature

For a related structure, see: Sathiyaraj et al. (2012[Sathiyaraj, E., Thirumaran, S. & Selvanayagam, S. (2012). Acta Cryst. E68, m1217.]). For the superposition of structures, see: Gans & Shalloway (2001[Gans, J. D. & Shalloway, D. (2001). J. Mol. Graph. Model. 19, 557-559.]).

[Scheme 1]

Experimental

Crystal data
  • [Pb(C14H14NS3)2]

  • Mr = 792.07

  • Monoclinic, C 2/c

  • a = 27.459 (2) Å

  • b = 5.5580 (4) Å

  • c = 19.4670 (15) Å

  • [beta] = 100.168 (2)°

  • V = 2924.3 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 6.22 mm-1

  • T = 292 K

  • 0.20 × 0.08 × 0.06 mm

Data collection
  • Bruker SMART APEX CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SMART, SADABS and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.699, Tmax = 0.707

  • 16187 measured reflections

  • 3487 independent reflections

  • 3089 reflections with I > 2[sigma](I)

  • Rint = 0.023

Refinement
  • R[F2 > 2[sigma](F2)] = 0.026

  • wR(F2) = 0.074

  • S = 1.01

  • 3487 reflections

  • 172 parameters

  • 23 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.91 e Å-3

  • [Delta][rho]min = -0.84 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C2-H2A...S1 0.97 2.47 2.998 (4) 114
C8-H8B...S2 0.97 2.53 2.988 (4) 109

Data collection: SMART (Bruker, 2001[Bruker (2001). SMART, SADABS and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2001[Bruker (2001). SMART, SADABS and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SIR92 (Altomare et al., 1993[Altomare, A., Cascarano, G., Giacovazzo, C. & Guagliardi, A. (1993). J. Appl. Cryst. 26, 343-350.]); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]) and PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]); software used to prepare material for publication: SHELXL2013 and PLATON (Spek, 2009)[Spek, A. L. (2009). Acta Cryst. D65, 148-155.].


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NG5336 ).


Acknowledgements

ES is thankful to the University Grants Commission (UGC), India, for the award of a BSR-SAP research fellowship. SS acknowledges the Department of Science and Technology (DST), India, for providing computing facilities under the DST Fast-Track Scheme.

References

Altomare, A., Cascarano, G., Giacovazzo, C. & Guagliardi, A. (1993). J. Appl. Cryst. 26, 343-350.  [CrossRef] [Web of Science] [IUCr Journals]
Bruker (2001). SMART, SADABS and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Gans, J. D. & Shalloway, D. (2001). J. Mol. Graph. Model. 19, 557-559.  [CrossRef] [PubMed] [ChemPort]
Sathiyaraj, E., Thirumaran, S. & Selvanayagam, S. (2012). Acta Cryst. E68, m1217.  [CSD] [CrossRef] [IUCr Journals]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, m457  [ doi:10.1107/S1600536813019259 ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.