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Volume 69 
Part 5 
Page o789  
May 2013  

Received 9 April 2013
Accepted 22 April 2013
Online 27 April 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.003 Å
R = 0.044
wR = 0.130
Data-to-parameter ratio = 13.8
Details
Open access

2-Phenoxyethyl benzoate

aDepartment of Chemistry, Hashemite University, Zarqa 13115, Jordan,bDepartment of Chemistry, AN-Najah National University, Nablus, Palestinian Territories,cDepartment of Chemistry, The University of Jordan, Amman 11942, Jordan, and dDepartment of Basic Science, Allied Medical Science College, Applied Science Private University, PO Box 166, Amman 11931, Jordan
Correspondence e-mail: manoaimi@hu.edu.jo

In the title compound, C15H14O3, the dihedral angle between the benzene rings is 75.85 (7)°. In the crystal, centrosymmetrically related molecules are weakly associated through pairs of interactions between a benzene ring and an O atom of the ester group [ring centroid...O = 3.952 (7) Å], and through pairs of interactions between the other benzene ring and an O atom of the phenoxy group [ring centroid...O = 3.912 (7) Å], giving chains extending along [110].

Related literature

For background information and related structures, see: Gandhi et al. (1995[Gandhi, S. S., Bell, K. L. & Gibson, M. S. (1995). Tetrahedron, 51, 13301-13308.]); Huang et al. (1996[Huang, W., Pian, J., Chen, B., Pei, W. & Ye, X. (1996). Tetrahedron, 52, 10131-10136.]); Litera et al. (2006[Litera, J. K., Loya, A. D. & Klan, P. (2006). J. Org. Chem. 71, 713-723.]); Ruzicka et al. (2002[Ruzicka, R., Zabadal, M. & Klan, P. (2002). Synth. Commun. 32, 2581-2590.]); Sheehan & Umezaw (1973[Sheehan, J. C. & Umezaw, K. (1973). J. Org. Chem. 58, 3771-3773.]).

[Scheme 1]

Experimental

Crystal data
  • C15H14O3

  • Mr = 242.26

  • Monoclinic, P 21 /c

  • a = 9.4675 (10) Å

  • b = 10.1411 (10) Å

  • c = 13.7792 (12) Å

  • [beta] = 103.895 (10)°

  • V = 1284.2 (2) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.09 mm-1

  • T = 293 K

  • 0.32 × 0.26 × 0.18 mm

Data collection
  • Oxford Diffraction Xcalibur Eos CCD-detector diffractometer

  • Absorption correction: analytical (CrysAlis PRO; Agilent, 2011[Agilent (2011). CrysAlis PRO. Agilent Technologies, Yarnton, England.]) Tmin = 0.995, Tmax = 0.997

  • 5089 measured reflections

  • 2269 independent reflections

  • 1479 reflections with I > 2[sigma](I)

  • Rint = 0.029

Refinement
  • R[F2 > 2[sigma](F2)] = 0.044

  • wR(F2) = 0.130

  • S = 1.02

  • 2269 reflections

  • 164 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.11 e Å-3

  • [Delta][rho]min = -0.11 e Å-3

Data collection: CrysAlis PRO (Agilent, 2011[Agilent (2011). CrysAlis PRO. Agilent Technologies, Yarnton, England.]); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; 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: ORTEPIII (Burnett & Johnson, 1996[Burnett, M. N. & Johnson, C. K. (1996). ORTEPIII. Report ORNL-6895. Oak Ridge National Laboratory, Tennessee, USA.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZS2256 ).


Acknowledgements

The project was supported by AN-Najah National University and the Hashemite University (Jordan). The X-ray structural work was performed at Hamdi Mango Center for Scientific Research at The University of Jordan, Amman 11942, Jordan.

References

Agilent (2011). CrysAlis PRO. Agilent Technologies, Yarnton, England.
Burnett, M. N. & Johnson, C. K. (1996). ORTEPIII. Report ORNL-6895. Oak Ridge National Laboratory, Tennessee, USA.
Gandhi, S. S., Bell, K. L. & Gibson, M. S. (1995). Tetrahedron, 51, 13301-13308.  [CrossRef] [ChemPort] [ISI]
Huang, W., Pian, J., Chen, B., Pei, W. & Ye, X. (1996). Tetrahedron, 52, 10131-10136.  [CrossRef] [ChemPort] [ISI]
Litera, J. K., Loya, A. D. & Klan, P. (2006). J. Org. Chem. 71, 713-723.  [PubMed]
Ruzicka, R., Zabadal, M. & Klan, P. (2002). Synth. Commun. 32, 2581-2590.  [ISI] [CrossRef] [ChemPort]
Sheehan, J. C. & Umezaw, K. (1973). J. Org. Chem. 58, 3771-3773.  [CrossRef]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]


Acta Cryst (2013). E69, o789  [ doi:10.1107/S1600536813010878 ]

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