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Volume 68 
Part 1 
Page o114  
January 2012  

Received 24 November 2011
Accepted 8 December 2011
Online 14 December 2011

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.003 Å
R = 0.047
wR = 0.134
Data-to-parameter ratio = 13.3
Details
Open access

4-Methoxy-3-nitrobiphenyl

aSchool of Petrochemical Engineering, Changzhou University, Changzhou 213164, Jiangsu, People's Republic of China, and bHigh Technology Research Institute of Nanjing University, Changzhou 213162, Jiangsu, People's Republic of China
Correspondence e-mail: cxq_cczu@163.com

In the title compound, C13H11NO3, the dihedral angle between the two benzene rings is 36.69 (2)° and the nitro and methyoxy groups are oriented at 29.12 (14) and 2.14 (12)° with respect to the benzene ring to which they are bonded.

Related literature

For background information and the synthetic procedure, see: Pourali & Fatemi (2010[Pourali, A. R. & Fatemi, F. (2010). Chin. Chem. Lett. 21, 1283-1286.]). For the crystal structure of a similar compound, see: Marques et al. (2008[Marques, A. T., Silva, J. A., Silva, M. R., Beja, A. M., Justino, L. L. G. & Sobral, A. J. F. N. (2008). J. Chem. Crystallogr. 38, 295-299.]).

[Scheme 1]

Experimental

Crystal data
  • C13H11NO3

  • Mr = 229.23

  • Orthorhombic, P b c a

  • a = 7.2464 (14) Å

  • b = 14.416 (3) Å

  • c = 21.270 (4) Å

  • V = 2221.9 (7) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 0.10 mm-1

  • T = 296 K

  • 0.20 × 0.18 × 0.15 mm

Data collection
  • Enraf-Nonius CAD-4 diffractometer

  • Absorption correction: [psi] scan (North et al., 1968[North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.]) Tmin = 0.981, Tmax = 0.985

  • 23696 measured reflections

  • 2067 independent reflections

  • 1767 reflections with I > 2[sigma](I)

  • Rint = 0.042

  • 3 standard reflections every 200 reflections intensity decay: 1%

Refinement
  • R[F2 > 2[sigma](F2)] = 0.047

  • wR(F2) = 0.134

  • S = 1.00

  • 2067 reflections

  • 155 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.30 e Å-3

  • [Delta][rho]min = -0.21 e Å-3

Data collection: CAD-4 Software (Enraf-Nonius, 1985[Enraf-Nonius (1985). CAD-4 Software. Enraf-Nonius, Delft, The Netherlands.]); cell refinement: CAD-4 Software; data reduction: XCAD4 (Harms & Wocadlo, 1995[Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.]); 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: PV2490 ).


Acknowledgements

The authors thank the Center of Testing and Analysis, Nanjing University, for the data collection.

References

Enraf-Nonius (1985). CAD-4 Software. Enraf-Nonius, Delft, The Netherlands.
Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.
Marques, A. T., Silva, J. A., Silva, M. R., Beja, A. M., Justino, L. L. G. & Sobral, A. J. F. N. (2008). J. Chem. Crystallogr. 38, 295-299.  [ISI] [CSD] [CrossRef] [ChemPort]
North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.  [CrossRef] [details]
Pourali, A. R. & Fatemi, F. (2010). Chin. Chem. Lett. 21, 1283-1286.  [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2012). E68, o114  [ doi:10.1107/S1600536811052846 ]

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