(IUCr) 2,2'-Bis(4-methoxyphenyl)-2,2'-bis(trimethylsilanyloxy)-2,2'-(ferrocene-1,1'-diyl)diacetonitrile

Volume 64
Part 1
Page m123
January 2008

Received 8 November 2007
Accepted 29 November 2007
Online 6 December 2007

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.007 Å
R = 0.063
wR = 0.204
Data-to-parameter ratio = 17.2
Details

2,2'-Bis(4-methoxyphenyl)-2,2'-bis(trimethylsilanyloxy)-2,2'-(ferrocene-1,1'-diyl)diacetonitrile

Xiao-li Wang ^a and Huaying Bao ^a ^*

^aCollege of Chemistry, Beijing Normal University, Beijing 100875, People's Republic of China
Correspondence e-mail: hxxwangxiaoli@163.com

In the title compound, [Fe(C₁₇H₂₀NO₂Si)₂], the Fe atom is situated on a crystallographic centre of inversion, leading to a perfectly staggered conformation of the Cp rings.

Related literature

For related literature, see: Evans & Truesdale (1973); Evans et al. (1974); Lidy & Sundermeyer (1973); Dunitz et al. (1956); Fischer & Hüning (1987); Fleming & Woolias (1979); Gassman & Talley (1978); Groutas & Felker (1980); Rasmussen & Heilmann (1978); Zhou (1989).

Experimental

Crystal data

[Fe(C₁₇H₂₀NO₂Si)₂]
M_r = 652.71
Triclinic, $[P \overline 1]$
a = 7.129 (2) Å
b = 10.500 (4) Å
c = 11.449 (4) Å
= 95.613 (5)°
= 97.253 (6)°
= 97.441 (6)°
V = 837.3 (5) Å³
Z = 1
Mo K radiation
= 0.56 mm^-1
T = 293 (2) K
0.24 × 0.14 × 0.12 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 1999) T_min = 0.822, T_max = 1.000 (expected range = 0.768-0.935)
4803 measured reflections
3367 independent reflections
2156 reflections with I > 2(I)
R_int = 0.030

Refinement

R[F² > 2(F²)] = 0.063
wR(F²) = 0.204
S = 1.03
3367 reflections
196 parameters
21 restraints
H-atom parameters constrained
_max = 0.98 e Å^-3
_min = -0.43 e Å^-3

Data collection: SMART (Bruker, 2001); cell refinement: SMART; data reduction: SAINT (Bruker, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2000); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IM2048 ).

Acknowledgements

The authors thank the National Natural Science Foundation of China (grant No. 20062004) for financial support.

References

Bruker (1999) SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2000). SHELXTL. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2001). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Dunitz, J. D., Orgel, L. E. & Rich, A. (1956). Acta Cryst. 9, 373-375.
Evans, D. A., Carroll, G. L. & Truesdale, L. K. (1974). J. Org. Chem. 39, 914-917.
Evans, D. A. & Truesdale, L. K. (1973). Tetrahedron Lett. 49, 4929-4932.
Fischer, K. & Hüning, S. (1987). J. Org. Chem. 52, 564-569.
Fleming, L. & Woolias, M. (1979). J. Chem. Soc. Perkin Trans. 1, pp. 829-837.
Gassman, P. G. & Talley, J. J. (1978). Tetrahedron Lett. 40, 3773-3776.
Groutas, W. C. & Felker, D. (1980). Synthesis, pp. 861-868.
Lidy, W. & Sundermeyer, W. (1973). Chem. Ber. 106, 587-593.
Rasmussen, J. K. & Heilmann, S. M. (1978). Synthesis, pp. 219-221.
Sheldrick, G. M. (1990). Acta Cryst. A46, 467-473.
Sheldrick, G. M. (1997). SHELXL97. University of Göttingen, Germany.
Zhou, G. D. (1989). Foundations of Structural Chemistry, 1st ed., p. 230. Beijing University Press.

metal-organic compounds