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Volume 64 
Part 10 
Page o1994  
October 2008  

Received 8 September 2008
Accepted 17 September 2008
Online 24 September 2008

[lh2694sup1]
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Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.003 Å
R = 0.057
wR = 0.142
Data-to-parameter ratio = 14.9
Details
Open access

2,3-Bis(pyrazin-2-yloxyimino)butane

Lin Yan Yanga and Jing Min Shia*

aDepartment of Chemistry, Shandong Normal University, Jinan 250014, People's Republic of China
Correspondence e-mail: shijingmin1955@yahoo.com.cn

The title molecule, C12H12N6O2, lies on a crystallographic inversion center with all non-H atoms essentially coplanar.

Related literature

For a related structure, see: Chen & Yang (2008[Chen, J. N. & Yang, L. Y. (2008). Acta Cryst. E64, o1862.]).

[Scheme 1]

Experimental

Crystal data

  • C12H12N6O2

  • Mr = 272.28

  • Monoclinic, P 21 /n

  • a = 4.7396 (15) Å

  • b = 17.141 (5) Å

  • c = 7.911 (3) Å

  • [beta] = 98.065 (5)°

  • V = 636.3 (4) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.10 mm-1

  • T = 298 (2) K

  • 0.43 × 0.10 × 0.06 mm
Data collection

  • Bruker SMART APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS, University of Göttingen, Germany.]) Tmin = 0.957, Tmax = 0.994

  • 3621 measured reflections

  • 1368 independent reflections

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

  • Rint = 0.036
Refinement

  • R[F2 > 2[sigma](F2)] = 0.057

  • wR(F2) = 0.142

  • S = 1.03

  • 1368 reflections

  • 92 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.19 e Å-3

  • [Delta][rho]min = -0.16 e Å-3

Data collection: SMART (Bruker, 2007[Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). SMART 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: LH2694 ).

References

Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, J. N. & Yang, L. Y. (2008). Acta Cryst. E64, o1862.  [CrossRef] [details]
Sheldrick, G. M. (1996). SADABS, University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]

Acta Cryst (2008). E64, o1994  [ doi:10.1107/S1600536808029991 ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.