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Volume 66 
Part 2 
Page m148  
February 2010  

Received 17 December 2009
Accepted 7 January 2010
Online 13 January 2010

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.003 Å
R = 0.028
wR = 0.072
Data-to-parameter ratio = 12.6
Details
Open access

Tricarbonyl(2-methyl-2-[eta]6-phenyl-1,3-dioxolane)chromium(0)

aDepartment of Pharmaceutical Sciences, University of Tennessee Health Sciences Center, 847 Monroe Avenue, Suite 227A, Memphis, TN 38163, USA,bSt. Jude Children's Research Hospital, Department of Structrual Biology, MS311, 332 North Lauderdale, Memphis, TN 38105-2794, USA, and cDepartment of Chemistry, University of Memphis, 213 Smith Chemistry Building, Memphis, TN 38152-3550, USA
Correspondence e-mail: tburkey@memphis.edu

The structure of the title compound, [Cr(C10H12O2)(CO)3], is presented. The distorted piano-stool geometry features an off-center Cr(CO)3 fragment which reduces contact with the dioxolane ring. The dioxolane ring, in twisted conformation, is syn-oriented towards the Cr(CO)3 moiety.

Related literature

For the synthesis of the title compound, see: Bitterwolf (1988[Bitterwolf, T. E. (1988). Polyhedron, 7, 1377-1382.]); Mahaffy & Pauson (1990[Mahaffy, C. A. L. & Pauson, P. L. (1990). Inorg. Synth. 28, 136-140.]).

[Scheme 1]

Experimental

Crystal data
  • [Cr(C10H12O2)(CO)3]

  • Mr = 300.23

  • Triclinic, [P \overline 1]

  • a = 7.1950 (3) Å

  • b = 7.2120 (3) Å

  • c = 13.9235 (6) Å

  • [alpha] = 75.573 (2)°

  • [beta] = 79.277 (2)°

  • [gamma] = 62.734 (1)°

  • V = 619.79 (5) Å3

  • Z = 2

  • Cu K[alpha] radiation

  • [mu] = 7.74 mm-1

  • T = 173 K

  • 0.11 × 0.08 × 0.08 mm

Data collection
  • Bruker Proteum diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2000[Bruker (2000). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.489, Tmax = 0.587

  • 13788 measured reflections

  • 2163 independent reflections

  • 2066 reflections with I > 2[sigma](I)

  • Rint = 0.028

Refinement
  • R[F2 > 2[sigma](F2)] = 0.028

  • wR(F2) = 0.072

  • S = 1.11

  • 2163 reflections

  • 172 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.34 e Å-3

  • [Delta][rho]min = -0.19 e Å-3

Table 1
Selected geometric parameters (Å, °)

Cr1-C1O 1.837 (2)
Cr1-C3O 1.846 (2)
Cr1-C2O 1.854 (2)
Cr1-C5 2.1942 (18)
Cr1-C6 2.2062 (19)
Cr1-C4 2.2197 (18)
Cr1-C3 2.2248 (18)
Cr1-C2 2.2355 (18)
Cr1-C1 2.2440 (18)
O1C-C1O 1.156 (2)
O3C-C3O 1.150 (2)
O2C-C2O 1.155 (3)
C1O-Cr1-C3O 85.12 (8)
C1O-Cr1-C2O 90.23 (9)
C3O-Cr1-C2O 88.90 (9)

Data collection: PROTEUM2 (Bruker, 2005[Bruker (2005). PROTEUM2. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 1998[Bruker (1998). SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; 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 (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]) and RASTER3D (Merritt & Bacon, 1997[Merritt, E. A. & Bacon, D. J. (1997). Methods in Enzymology, Vol. 277, pp. 505-524. New York: Academic Press.]); software used to prepare material for publication: WinGX (Farrugia, 1999[Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: KP2246 ).


Acknowledgements

CBD acknowledges stipend support provided by the National Institute of Standards and Technology grant No. 70NANB4H1093 and the National Science Foundation grant No. CHE-0227475. Support of this research by the Cancer Center Support CORE grant No. P30 CA-21765 and the American Lebanese Syrian Associated Charities (ALSAC) is gratefully acknowledged on behalf of CRR. CBD is also thankful to Professor Duane Miller for his support while writing this paper. Tragically, Charles Ross died before the publication of this paper. His contribution to this work and several others including the doctoral dissertation of CBD is greatly appreciated.

References

Bitterwolf, T. E. (1988). Polyhedron, 7, 1377-1382.  [CrossRef] [ChemPort] [ISI]
Bruker (1998). SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2000). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2005). PROTEUM2. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.  [CrossRef] [ChemPort] [details]
Mahaffy, C. A. L. & Pauson, P. L. (1990). Inorg. Synth. 28, 136-140.  [CrossRef] [ChemPort]
Merritt, E. A. & Bacon, D. J. (1997). Methods in Enzymology, Vol. 277, pp. 505-524. New York: Academic Press.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2010). E66, m148  [ doi:10.1107/S1600536810000759 ]

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