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Volume 69 
Part 4 
Page m209  
April 2013  

Received 6 February 2013
Accepted 8 March 2013
Online 16 March 2013

Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.003 Å
R = 0.031
wR = 0.066
Data-to-parameter ratio = 23.4
Details
Open access

cis-Dichloridobis(ethyl methyl sulfide-[kappa]S)oxidovanadium(IV)

aDepartment of Chemistry, Graduate School of Science and Engineering, Saitama University, Shimo-Okubo 255, Sakura-ku, Saitama 338-8570, Japan, and bComprehensive Analysis Center for Science, Saitama University, Shimo-Okubo 255, Sakura-ku, Saitama 338-8570, Japan
Correspondence e-mail: fuji@chem.saitama-u.ac.jp

The mononuclear title complex, [VCl2O(C3H8S)2], features a VIV=O double bond [1.5845 (15) Å] in an overall trigonal-bipyramidal coordination environment defined by two Cl- and the S atoms of two (CH3CH2)(CH3)S ligands. In the crystal, pairs of molecules form centrosymmetric dimers via C-H...O hydrogen bonds between the methyl C-H group and the oxidovanadium O atom of a neighbouring molecule.

Related literature

For related structures, see: Azuma et al. (1994[Azuma, N., Ozawa, T. & Ishizu, K. (1994). Polyhedron, 13, 1715-1723.]); Bristow et al. (1989[Bristow, S., McAvilley, S. C. M., Clegg, W. & Collison, D. (1989). Polyhedron, 8, 87-90.]); Hartung et al. (2005[Hartung, J., Schmidt, P., Svoboda, I. & Fuess, H. (2005). Acta Cryst. E61, m1253-m1255.]); Kakeya, Fujihara, Kasaya et al. (2006[Kakeya, M., Fujihara, T., Kasaya, T. & Nagasawa, A. (2006). Organometallics, 25, 4131-4137.]); Kakeya, Fujihara & Nagasawa (2006[Kakeya, M., Fujihara, T. & Nagasawa, A. (2006). Acta Cryst. E62, m553-m554.]); Matsuura et al. (2012[Matsuura, M., Fujihara, T., Nagasawa, A. & Ng, S. W. (2012). Acta Cryst. E68, m1166.]); Papoutsakis et al. (2004[Papoutsakis, D., Ichimura, A. S., Young Jr, V. G., Jackson, J. E. & Nocera, D. G. (2004). J. Chem. Soc. Dalton Trans. pp. 224-228.]); Takano et al. (2009[Takano, K., Sunatsuki, Y., Kojima, M., Kinoshita, I. & Shibahara, T. (2009). Inorg. Chim. Acta, 362, 3201-3207.]). For hydrogen-bonded motifs, see: Bernstein et al. (1995[Bernstein, J., Davies, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl. 34, 1555-1573.]).

[Scheme 1]

Experimental

Crystal data
  • [VCl2O(C3H8S)2]

  • Mr = 290.15

  • Monoclinic, P 21 /n

  • a = 10.503 (3) Å

  • b = 10.386 (3) Å

  • c = 11.890 (4) Å

  • [beta] = 93.484 (3)°

  • V = 1294.6 (7) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.46 mm-1

  • T = 150 K

  • 0.15 × 0.13 × 0.11 mm

Data collection
  • Bruker APEXII CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2008[Bruker (2008). APEX2, SADABS, SAINT, XCIF and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.811, Tmax = 0.856

  • 13449 measured reflections

  • 2646 independent reflections

  • 2125 reflections with I > 2[sigma](I)

  • Rint = 0.059

Refinement
  • R[F2 > 2[sigma](F2)] = 0.031

  • wR(F2) = 0.066

  • S = 1.24

  • 2646 reflections

  • 113 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.36 e Å-3

  • [Delta][rho]min = -0.37 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C1-H1...O1i 0.99 2.57 3.547 (3) 170
Symmetry code: (i) -x+1, -y, -z+2.

Data collection: APEX2 (Bruker, 2008[Bruker (2008). APEX2, SADABS, SAINT, XCIF and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2008[Bruker (2008). APEX2, SADABS, SAINT, XCIF and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT and XPREP (Bruker, 2008[Bruker (2008). APEX2, SADABS, SAINT, XCIF and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (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.]); software used to prepare material for publication: XCIF (Bruker, 2008[Bruker (2008). APEX2, SADABS, SAINT, XCIF and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CQ2002 ).


Acknowledgements

This work has been supported by the programs of the Grants-in-Aid for Scientific Research (to TF, No. 23510115) from the Japan Society for the Promotion of Science.

References

Azuma, N., Ozawa, T. & Ishizu, K. (1994). Polyhedron, 13, 1715-1723.  [CrossRef] [ChemPort] [ISI]
Bernstein, J., Davies, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl. 34, 1555-1573.  [CrossRef] [ChemPort] [ISI]
Bristow, S., McAvilley, S. C. M., Clegg, W. & Collison, D. (1989). Polyhedron, 8, 87-90.  [CrossRef] [ChemPort] [ISI]
Bruker (2008). APEX2, SADABS, SAINT, XCIF and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Hartung, J., Schmidt, P., Svoboda, I. & Fuess, H. (2005). Acta Cryst. E61, m1253-m1255.  [CrossRef] [details]
Kakeya, M., Fujihara, T., Kasaya, T. & Nagasawa, A. (2006). Organometallics, 25, 4131-4137.  [CSD] [CrossRef] [ChemPort]
Kakeya, M., Fujihara, T. & Nagasawa, A. (2006). Acta Cryst. E62, m553-m554.  [CSD] [CrossRef] [details]
Matsuura, M., Fujihara, T., Nagasawa, A. & Ng, S. W. (2012). Acta Cryst. E68, m1166.  [CSD] [CrossRef] [details]
Papoutsakis, D., Ichimura, A. S., Young Jr, V. G., Jackson, J. E. & Nocera, D. G. (2004). J. Chem. Soc. Dalton Trans. pp. 224-228.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Takano, K., Sunatsuki, Y., Kojima, M., Kinoshita, I. & Shibahara, T. (2009). Inorg. Chim. Acta, 362, 3201-3207.  [ISI] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m209  [ doi:10.1107/S1600536813006703 ]

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