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Volume 69 
Part 2 
Page o216  
February 2013  

Received 11 December 2012
Accepted 27 December 2012
Online 9 January 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.009 Å
R = 0.052
wR = 0.179
Data-to-parameter ratio = 17.9
Details
Open access

(Z)-4-Bromo-N-{(Z)-3-[(4-bromo-2,6-diisopropylphenyl)imino]butan-2-ylidene}-2,6-diisopropylaniline

aKey Laboratory of Bioelectrochemistry & Environmental Analysis of Gansu Province, College of Chemistry & Chemical Engineering, Northwest Normal University, Lanzhou 730070, People's Republic of China
Correspondence e-mail: luxq@nwnu.edu.cn

The title compound, C28H38Br2N2, is centrosymmetric with the mid-point of the central C-C bond of the butyl group located on an inversion center. The terminal benzene ring is approximately perpendicular to the central 1,4-diazabutadiene mean plane [dihedral angle = 78.23 (3)°]. No hydrogen bonding or aromatic stacking is observed in the crystal structure.

Related literature

For applications of diimine catalysts, see: Cotts et al. (2000[Cotts, P. M., Guan, Z., McCord, E. F. & McLain, S. J. (2000). Macromolecules, 33, 6945-6952.]); Ittel et al. (2000[Ittel, S. D., Johnson, L. K. & Brookhart, M. (2000). Chem. Rev. 100, 1169-1203.]); Johnson et al. (1995[Johnson, L. K., Killian, C. M. & Brookhart, M. (1995). J. Am. Chem. Soc. 117, 6414-6415.]); Zhang & Ye (2012[Zhang, Z. & Ye, Z. (2012). Chem. Commun. 48, 7940-7942.]).

[Scheme 1]

Experimental

Crystal data
  • C28H38Br2N2

  • Mr = 562.42

  • Monoclinic, P 21 /n

  • a = 9.099 (3) Å

  • b = 12.199 (4) Å

  • c = 13.566 (5) Å

  • [beta] = 104.905 (5)°

  • V = 1455.2 (9) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 2.80 mm-1

  • T = 296 K

  • 0.25 × 0.23 × 0.19 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.541, Tmax = 0.618

  • 7266 measured reflections

  • 2685 independent reflections

  • 1460 reflections with I > 2[sigma](I)

  • Rint = 0.043

Refinement
  • R[F2 > 2[sigma](F2)] = 0.052

  • wR(F2) = 0.179

  • S = 0.94

  • 2685 reflections

  • 150 parameters

  • 84 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.46 e Å-3

  • [Delta][rho]min = -0.40 e Å-3

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU5664 ).


Acknowledgements

This work was supported by the National Natural Science Foundation of China (Nos. 20927004, 21175108 and 20875077), the Natural Science Foundation of Gansu Province (Nos. 0803RJZA105, 096RJZA121 and 096RJZA122) and the Key Laboratory of Polymer Materials of Gansu Province, China.

References

Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Cotts, P. M., Guan, Z., McCord, E. F. & McLain, S. J. (2000). Macromolecules, 33, 6945-6952.  [ISI] [CrossRef] [ChemPort]
Ittel, S. D., Johnson, L. K. & Brookhart, M. (2000). Chem. Rev. 100, 1169-1203.  [ISI] [CrossRef] [PubMed] [ChemPort]
Johnson, L. K., Killian, C. M. & Brookhart, M. (1995). J. Am. Chem. Soc. 117, 6414-6415.  [CrossRef] [ChemPort] [ISI]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Zhang, Z. & Ye, Z. (2012). Chem. Commun. 48, 7940-7942.  [CrossRef] [ChemPort]


Acta Cryst (2013). E69, o216  [ doi:10.1107/S160053681205194X ]

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