Propyl 4-hydroxy­benzoate

Zhou, Y.; Matsadiq, G.; Wu, Y.; Xiao, J.; Cheng, J.

doi:10.1107/S1600536810000139

Volume 66
Part 2
Page o485
February 2010

Received 4 December 2009
Accepted 4 January 2010
Online 30 January 2010

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.004 Å
R = 0.083
wR = 0.189
Data-to-parameter ratio = 13.8
Details

Propyl 4-hydroxybenzoate

Yiwen Zhou,^a Guzalnur Matsadiq,^a Yanling Wu,^a Jing Xiao ^a and Jing Cheng ^a ^*

^aKey Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, People's Republic of China
Correspondence e-mail: mdchengjing@126.com

There are two molecules in the asymmetric unit of the title compound, C₁₀H₁₂O₃. In the crystal, molecules are linked by O-HO hydrogen bonds into chains running along [010]. Adjacent chains are joined together by weak [pi] - [pi] interactions between benzene rings [centroid-centroid distance = 4.040 (2) Å].

Related literature

For the structure of another p-hydroxybenzoate, see: Mandal & Kadirvelraj (1996).

Experimental

Crystal data

C₁₀H₁₂O₃
M_r = 180.20
Monoclinic, P 2₁ /c
a = 12.0634 (12) Å
b = 13.8419 (14) Å
c = 11.7982 (11) Å
= 108.625 (2)°
V = 1866.9 (3) Å³
Z = 8
Mo K radiation
= 0.09 mm^-1
T = 298 K
0.30 × 0.20 × 0.20 mm

Data collection

Bruker SMART APEX CCD area-detector diffractometer
10603 measured reflections
3271 independent reflections
2960 reflections with I > 2(I)
R_int = 0.027

Refinement

R[F² > 2(F²)] = 0.083
wR(F²) = 0.189
S = 1.27
3271 reflections
237 parameters
H-atom parameters constrained
_max = 0.24 e Å^-3
_min = -0.30 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O4-H4O5ⁱ	0.82	1.93	2.730 (3)	167
O1-H1O2ⁱⁱ	0.82	1.91	2.720 (3)	171
Symmetry codes: (i) $[-x+1, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]$ ; (ii) $[-x+2, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Data collection: SMART (Bruker, 2001); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: PLATON (Spek, 2009); software used to prepare material for publication: PLATON.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: FK2009 ).

Acknowledgements

We would like to thank the National Nature Science Foundation of China (30971948) and Wuhan's program in science and technology (200760423155) for financial support for this work. We also wish to express our thanks to Meng Xianggao for his warmest help and patience.

References

Bruker (2001). SAINT-Plus and SMART. Bruker AXS Inc., Madison, Wisconsin, USA.
Mandal, S. S. & Kadirvelraj, R. (1996). Chem. Commun. pp. 2725-2726.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.

organic compounds