1,1,2,2-Tetra­phenyl-1λ5-diphosphane 1-sulfide

Aluri, B.R.; Peitz, S.; Wöhl, A.; Peulecke, N.; Müller, B.H.; Spannenberg, A.; Rosenthal, U.

doi:10.1107/S1600536809002955

Volume 65
Part 2
Page o404
February 2009

Received 20 January 2009
Accepted 23 January 2009
Online 28 January 2009

Key indicators
Single-crystal X-ray study
T = 200 K
Mean (C-C) = 0.002 Å
R = 0.033
wR = 0.096
Data-to-parameter ratio = 22.5
Details

1,1,2,2-Tetraphenyl-1⁵-diphosphane 1-sulfide

Bhaskar R. Aluri,^a ^* Stephan Peitz,^a Anina Wöhl,^b Normen Peulecke,^a Bernd H. Müller,^a Anke Spannenberg ^a and Uwe Rosenthal ^a

^aLeibniz-Institut für Katalyse e. V. an der Universität Rostock, Albert-Einstein-Strasse 29a, 18059 Rostock, Germany, and ^bLinde AG, Linde Engineering Division, Dr.-Carl-von-Linde-Strasse 6-14, 82049 Pullach, Germany
Correspondence e-mail: bhaskar-reddy.aluri@catalysis.de

In the title molecule, C₂₄H₂₀P₂S, the P-P bond length is 2.2263 (5) Å. The two phenyl rings attached to the three- and five-coordinated P atoms, respectively, form dihedral angles of 56.22 (5) and 71.74 (5)°.

Related literature

For the literature on related compounds, see: Bhattacharyya et al. (1996); Gruber et al. (1990); Jones et al. (2002).

Experimental

Crystal data

C₂₄H₂₀P₂S
M_r = 402.40
Monoclinic, P 2₁ /c
a = 9.32670 (19) Å
b = 13.6496 (4) Å
c = 16.0484 (4) Å
= 91.7298 (17)°
V = 2042.12 (9) Å³
Z = 4
Mo K radiation
= 0.32 mm^-1
T = 200 (2) K
0.45 × 0.30 × 0.28 mm

Data collection

Stoe IPDS II diffractometer
Absorption correction: numerical (X-SHAPE; Stoe & Cie, 2005) T_min = 0.892, T_max = 0.961
38972 measured reflections
5499 independent reflections
4493 reflections with I > 2(I)
R_int = 0.027

Refinement

R[F² > 2(F²)] = 0.033
wR(F²) = 0.096
S = 1.08
5499 reflections
244 parameters
1 restraint
H-atom parameters constrained
_max = 0.29 e Å^-3
_min = -0.28 e Å^-3

Data collection: X-AREA (Stoe & Cie, 2005); cell refinement: X-AREA; data reduction: X-RED (Stoe & Cie, 2005); 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: CV2512 ).

Acknowledgements

This work was supported by the Leibniz-Institut für Katalyse e. V. an der Universität Rostock.

References

Bhattacharyya, P., Slawin, A. M. Z., Smith, M. B., Williams, D. J. & Woollins, J. D. (1996). J. Chem. Soc. Dalton Trans. pp. 3647-3651.
Gruber, M., Jones, P. G. & Schmutzler, R. (1990). Chem. Ber. 123, 1313-1317.
Jones, P. G., Fischer, A. K., Farkens, M. & Schmutzler, R. (2002). Acta Cryst. E58, m478-m479.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Stoe & Cie (2005). X-SHAPE, X-RED and X-AREA. Stoe & Cie, Darmstadt, Germany.

organic compounds

1,1,2,2-Tetraphenyl-15-diphosphane 1-sulfide