[Bis­(4-methyl-1,3-thia­zol-2-yl-κN)methane]­tricarbonyl­dichlorido­tungsten(II)

Strasser, C.E.; Cronje, S.; Raubenheimer, H.G.

doi:10.1107/S1600536811038104

Volume 67
Part 10
Page m1460
October 2011

Received 8 September 2011
Accepted 18 September 2011
Online 30 September 2011

Key indicators
Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.011 Å
R = 0.042
wR = 0.099
Data-to-parameter ratio = 16.5
Details

[Bis(4-methyl-1,3-thiazol-2-yl-N)methane]tricarbonyldichloridotungsten(II)

Christoph E. Strasser,^a ^* Stephanie Cronje ^a and Helgard G. Raubenheimer ^a

^aDepartment of Chemistry and Polymer Science, University of Stellenbosch, Private Bag X1, Matieland, 7602, South Africa
Correspondence e-mail: ce.strasser@gmx.net

The title compound, [WCl₂(C₉H₁₀N₂S₂)(CO)₃], is a heptacoordinate tungsten(II) complex with a capped-octahedral coordination sphere in which one CO ligand caps a face formed by a chloro ligand and the two other carbonyls. The chloro ligands are mutually trans positioned at an angle of 156.98 (7)°. The chelating bis(4-methyl-1,3-thiazol-2-yl)methane ligand coordinates with the imine N atoms. In the crystal, molecules are linked into chains parallel to [201] by weak C-HO contacts between the CH₂ group of the bis(4-methylthiazol-2-yl)methane ligand and the O atom of the capping CO group.

Related literature

For related compounds, see: Baker et al. (1986); Moss & Smith (1983); Stiddard (1962); Szymanska-Buzar (1989); Tripathi et al. (1976). For related structures, see: Baker et al. (1996, 2000); Drew et al. (1988, 1995); Hillhouse et al. (1982); Shiu et al. (1990). For the isolation of the title compound, see: Strasser et al. (2009).

Experimental

Crystal data

[WCl₂(C₉H₁₀N₂S₂)(CO)₃]
M_r = 549.10
Monoclinic, P 2₁ /c
a = 8.6876 (17) Å
b = 12.912 (2) Å
c = 14.851 (3) Å
= 105.550 (3)°
V = 1604.9 (5) Å³
Z = 4
Mo K radiation
= 7.80 mm^-1
T = 100 K
0.13 × 0.13 × 0.04 mm

Data collection

Bruker APEX CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2002) T_min = 0.549, T_max = 0.772
9133 measured reflections
3310 independent reflections
2843 reflections with I > 2(I)
R_int = 0.037

Refinement

R[F² > 2(F²)] = 0.042
wR(F²) = 0.099
S = 1.07
3310 reflections
201 parameters
H-atom parameters constrained
_max = 3.92 e Å^-3
_min = -2.06 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
C10-H10AO2ⁱ	0.99	2.38	3.28 (1)	151
Symmetry code: (i) $[x+1, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ .

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001; Atwood & Barbour, 2003); software used to prepare material for publication: X-SEED.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: RK2300 ).

Acknowledgements

We would like to thank the National Research Foundation (NRF) of South Africa for financial support.

References

Atwood, J. L. & Barbour, L. J. (2003). Cryst. Growth Des. 3, 3-8.
Baker, P. K., Fraser, S. G. & Keys, E. M. (1986). J. Organomet. Chem. 309, 319-321.
Baker, P. K., Muldoon, D. J., Hursthouse, M. B., Coles, S. J., Lavery, A. J. & Shawcross, A. (1996). Z. Naturforsch. B Chem. Sci. 51, 263-266.
Baker, P. K., Samson, E., Veale, P. L. & Drew, M. G. B. (2000). Polyhedron, 19, 147-153.
Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.
Bruker (2002). SADABS and SMART. Bruker AXS Inc., Madison WI, USA.
Bruker (2003). SAINT. Bruker AXS Inc., Madison WI, USA.
Drew, M. G. B., Baker, P. K., Armstrong, E. M. & Fraser, S. G. (1988). Polyhedron, 7, 245-247.
Drew, M. G. B., Baker, P. K., Armstrong, E. M., Fraser, S. G., Muldoon, D. J., Lavery, A. J. & Shawcross, A. (1995). Polyhedron, 14, 617-620.
Hillhouse, G. L., Goeden, G. V. & Haymore, B. L. (1982). Inorg. Chem. 21, 2064-2071.
Moss, J. R. & Smith, B. J. (1983). S. Afr. J. Chem. 36, 32-35.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Shiu, K.-B., Liou, K.-S., Wang, S.-L. & Wei, S.-C. (1990). Organometallics, 9, 669-675.
Stiddard, M. H. B. (1962). J. Chem. Soc. pp. 4712-4715.
Strasser, C. E., Cronje, S. & Raubenheimer, H. G. (2009). New J. Chem. 34, 458-469.
Szymanska-Buzar, T. (1989). J. Organomet. Chem. 375, 85-89.
Tripathi, S. C., Srivastava, S. C. & Mani, R. P. (1976). J. Organomet. Chem. 105, 239-243.

metal-organic compounds