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Volume 64 
Part 5 
Page o925  
May 2008  

Received 3 April 2008
Accepted 23 April 2008
Online 26 April 2008


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Key indicators
Single-crystal X-ray study
T = 193 K
Mean [sigma](C-C) = 0.003 Å
R = 0.029
wR = 0.052
Data-to-parameter ratio = 19.4
Details

2,10-Dibromo-6-isobutyl-6-methyldibenzo[d,f][1,3]dioxepine

Hai-Quan Zhang,a* Bao-Li,b Guang-Di Yangb and Yu-Guang Mab

aState Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, People's Republic of China, and bState Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012, People's Republic of China
Correspondence e-mail: hqzhang@ysu.edu.cn

In the crystal structure of the title compound, C18H18Br2O2, the two benzene rings of the bridged biphenyl unit are twisted by 38.0 (1)°.

Related literature

For the synthesis of the title compound, see: Zhang et al. (2003[Zhang, H.Q., Mu, S.-C., Zheng, Y., Yang, G-D., Ye, , Ma, Y.-G., Chen, X.-F. & Shen J.-C. (2003). Chin. J. Org. Chem. 23, 578-583.]).

[Scheme 1]

Experimental

Crystal data

  • C18H18Br2O2

  • Mr = 426.14

  • Monoclinic, P 21 /c

  • a = 8.3372 (9) Å

  • b = 19.362 (2) Å

  • c = 10.8066 (16) Å

  • [beta] = 100.803 (5)°

  • V = 1713.5 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 4.74 mm-1

  • T = 193 (2) K

  • 0.13 × 0.12 × 0.12 mm
Data collection

  • Rigaku R-AXIS RAPID diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.587, Tmax = 0.607 (expected range = 0.547-0.567)

  • 7425 measured reflections

  • 3924 independent reflections

  • 2495 reflections with I > 2[sigma](I)

  • Rint = 0.028
Refinement

  • R[F2 > 2[sigma](F2)] = 0.028

  • wR(F2) = 0.052

  • S = 0.85

  • 3924 reflections

  • 202 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.41 e Å-3

  • [Delta][rho]min = -0.51 e Å-3

Data collection: RAPID-AUTO (Rigaku, 1998[Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC and Rigaku, 2002[Rigaku/MSC and Rigaku (2002). CrystalStructure. MSC, The Woodlands, Texas, USA, and Rigaku Corporation, Tokyo, Japan.]); 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: PLATON (Spek, 2003[Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.]); software used to prepare material for publication: SHELXL97 .

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NC2099 ).

Acknowledgements

The authors acknowledge financial support from the National Science Foundation of China (20125421, 90101026, 50303007 and 60207003) and the Ministry of Science and Technology of China (2002CB6134003 and 2003CB3147032).

References

Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC and Rigaku (2002). CrystalStructure. MSC, The Woodlands, Texas, USA, and Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.  [CrossRef] [ChemPort] [details]
Zhang, H.Q., Mu, S.-C., Zheng, Y., Yang, G-D., Ye, , Ma, Y.-G., Chen, X.-F. & Shen J.-C. (2003). Chin. J. Org. Chem. 23, 578-583.

Acta Cryst (2008). E64, o925  [ doi:10.1107/S1600536808011665 ]

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