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Volume 65 
Part 1 
Page o114  
January 2009  

Received 4 December 2008
Accepted 5 December 2008
Online 13 December 2008

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.002 Å
R = 0.037
wR = 0.102
Data-to-parameter ratio = 16.6
Details
Open access

2-Phenoxypyrimidine

aDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
Correspondence e-mail: seikweng@um.edu.my

There are two molecules in the asymmetric unit of, C10H8N2O, with dihedral angles between the aromatic ring planes of 75.9 (1) and 79.3 (1)°.

Related literature

For other phenoxy-substituted N-heterocycles, see: Abdullah & Ng (2008[Abdullah, Z. & Ng, S. W. (2008). Acta Cryst. E64, o2165.]); Hassan et al. (2008[Hassan, N. D., Tajuddin, H. A., Abdullah, Z. & Ng, S. W. (2008). Acta Cryst. E64, o1820.]); Idris et al. (2009[Idris, A., Afiffin, A., Abdullah, Z. & Ng, S. W. (2009). Acta Cryst. E65, o7.]).

[Scheme 1]

Experimental

Crystal data
  • C10H8N2O

  • Mr = 172.18

  • Monoclinic, P 21 /c

  • a = 10.859 (1) Å

  • b = 20.181 (2) Å

  • c = 8.1339 (8) Å

  • [beta] = 106.637 (2)°

  • V = 1707.8 (3) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 0.09 mm-1

  • T = 100 (2) K

  • 0.25 × 0.20 × 0.15 mm

Data collection
  • Bruker SMART APEX diffractometer

  • Absorption correction: none

  • 9752 measured reflections

  • 3901 independent reflections

  • 3026 reflections with I > 2[sigma](I)

  • Rint = 0.024

Refinement
  • R[F2 > 2[sigma](F2)] = 0.037

  • wR(F2) = 0.102

  • S = 1.03

  • 3901 reflections

  • 235 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.18 e Å-3

  • [Delta][rho]min = -0.22 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: 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: X-SEED (Barbour, 2001[Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.]); software used to prepare material for publication: publCIF (Westrip, 2009[Westrip, S. P. (2009). publCIF. In preparation.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: TK2342 ).


Acknowledgements

We thank the University of Malaya for supporting this study (FS358/2008 A).

References

Abdullah, Z. & Ng, S. W. (2008). Acta Cryst. E64, o2165.  [CSD] [CrossRef] [details]
Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.  [CrossRef] [ChemPort]
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Hassan, N. D., Tajuddin, H. A., Abdullah, Z. & Ng, S. W. (2008). Acta Cryst. E64, o1820.  [CSD] [CrossRef] [details]
Idris, A., Afiffin, A., Abdullah, Z. & Ng, S. W. (2009). Acta Cryst. E65, o7.  [CSD] [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Westrip, S. P. (2009). publCIF. In preparation.


Acta Cryst (2009). E65, o114  [ doi:10.1107/S1600536808041196 ]

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