2-Phenoxy­pyrimidine

Shah Bakhtiar, N.; Abdullah, Z.; Ng, S.W.

doi:10.1107/S1600536808041196

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 (C-C) = 0.002 Å
R = 0.037
wR = 0.102
Data-to-parameter ratio = 16.6
Details

2-Phenoxypyrimidine

Nasir Shah Bakhtiar,^a Zanariah Abdullah ^a and Seik Weng Ng ^a ^*

^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); Hassan et al. (2008); Idris et al. (2009).

Experimental

Crystal data

C₁₀H₈N₂O
M_r = 172.18
Monoclinic, P 2₁ /c
a = 10.859 (1) Å
b = 20.181 (2) Å
c = 8.1339 (8) Å
= 106.637 (2)°
V = 1707.8 (3) Å³
Z = 8
Mo K radiation
= 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(I)
R_int = 0.024

Refinement

R[F² > 2(F²)] = 0.037
wR(F²) = 0.102
S = 1.03
3901 reflections
235 parameters
H-atom parameters constrained
_max = 0.18 e Å^-3
_min = -0.22 e Å^-3

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2009).

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.
Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.
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.
Idris, A., Afiffin, A., Abdullah, Z. & Ng, S. W. (2009). Acta Cryst. E65, o7.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Westrip, S. P. (2009). publCIF. In preparation.

organic compounds