Dibromidobis(N,N,N′,N′-tetra­methyl­thio­urea-κS)cadmium(II)

Nawaz, S.; Sadaf, S.; Fettouhi, M.; Fazal, A.; Ahmad, S.

doi:10.1107/S1600536810028102

Volume 66
Part 8
Page m950
August 2010

Received 3 July 2010
Accepted 14 July 2010
Online 17 July 2010

Key indicators
Single-crystal X-ray study
T = 292 K
Mean (N-C) = 0.005 Å
R = 0.021
wR = 0.052
Data-to-parameter ratio = 25.9
Details

Dibromidobis(N,N,N',N'-tetramethylthiourea-S)cadmium(II)

Sidra Nawaz,^a Sana Sadaf,^a Mohammed Fettouhi,^b Atif Fazal ^b and Saeed Ahmad ^a ^*

^aDepartment of Chemistry, University of Engineering and Technology, Lahore 54890, Pakistan, and ^bDepartment of Chemistry, King Fahd University of Petroleum and Minerals, Dhahran 31261, Saudi Arabia
Correspondence e-mail: saeed_a786@hotmail.com

In the title compound, [CdBr₂(C₅H₁₂N₂S)₂], the Cd^II atom lies on a twofold rotation axis. It exhibits a distorted tetrahedral coordination environment defined by two S atoms of two tetramethylthiourea (tmtu) ligands and two bromide ions. The crystal structure is consolidated by C-HN and C-HS hydrogen bonds.

Related literature

For crystallographic and spectroscopic studies of thiourea complexes, see: Al-Arfaj et al. (1998); Ali et al. (2009); Isab et al. (2009); Lobana et al. (2008); Marcos et al. (1998); Moloto et al. (2003). The structure of the title compound is isotypic with [Cd(tmtu)₂I₂] (Nawaz et al., 2010a) and [Hg(tmtu)₂Cl₂] (Nawaz et al., 2010b).

Experimental

Crystal data

[CdBr₂(C₅H₁₂N₂S)₂]
M_r = 536.67
Monoclinic, C 2/c
a = 18.6133 (17) Å
b = 10.0690 (9) Å
c = 13.4600 (12) Å
= 130.834 (1)°
V = 1908.6 (3) Å³
Z = 4
Mo K radiation
= 5.54 mm^-1
T = 292 K
0.24 × 0.23 × 0.20 mm

Data collection

Bruker SMART APEX area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.350, T_max = 0.404
12678 measured reflections
2379 independent reflections
2114 reflections with I > 2(I)
R_int = 0.028

Refinement

R[F² > 2(F²)] = 0.021
wR(F²) = 0.052
S = 1.05
2379 reflections
92 parameters
H-atom parameters constrained
_max = 0.44 e Å^-3
_min = -0.45 e Å^-3

Table 1
Selected bond lengths (Å)

Cd1-S1	2.5580 (6)
Cd1-Br1	2.5735 (3)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
C2-H2AN2	0.96	2.53	2.855 (4)	100
C5-H5AS1	0.96	2.65	3.026 (3)	104

Data collection: SMART (Bruker, 2008); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2371 ).

Acknowledgements

We gratefully acknowledge King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia, for providing the X-ray facility.

References

Al-Arfaj, A. R., Reibenspies, J. H., Isab, A. A. & Hussain, M. S. (1998). Acta Cryst. C54, 51-53.
Ali, S., Malik, M. R., Isab, A. A. & Ahmad, S. (2009). J. Coord. Chem. 62, 475-480.
Bruker (2008). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Isab, A. A., Wazeer, M. I. M. & Ashraf, W. (2009). Spectrochim. Acta Part A, 72, 218-221.
Lobana, T. S., Sharma, R., Sharma, R., Sultana, R. & Butcher, R. J. (2008). Z. Anorg. Allg. Chem. 634, 718-723.
Marcos, C., Alía, J. M., Adovasio, V., Prieto, M. & García-Granda, S. (1998). Acta Cryst. C54, 1225-1229.
Moloto, M. J., Malik, M. A., O'Brien, P., Motevalli, M. & Kolawole, G. A. (2003). Polyhedron, 22, 595-603.
Nawaz, S., Sadaf, S., Fettouhi, M., Fazal, A. & Ahmad, S. (2010a). Acta Cryst. E66, m951.
Nawaz, S., Sadaf, H., Fettouhi, M., Fazal, A. & Ahmad, S. (2010b). Acta Cryst. E66, m952.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds