4-(4-Pentyl­cyclo­hexyl)phenol

Wang, H.-F.; Guo, Y.; Jin, C.-Q.; Le, H.-B.

doi:10.1107/S1600536809024027

Volume 65
Part 7
Page o1717
July 2009

Received 19 June 2009
Accepted 23 June 2009
Online 27 June 2009

Key indicators
Single-crystal X-ray study
T = 113 K
Mean (C-C) = 0.002 Å
R = 0.056
wR = 0.151
Data-to-parameter ratio = 16.6
Details

4-(4-Pentylcyclohexyl)phenol

He-Fang Wang,^a ^* Yong Guo,^b Chang-Qing Jin ^a and Hong-Bing Le ^b

^aSchool of Chemical Engineering and Technology, Hebei University of Technology, Tianjin 300131, People's Republic of China, and ^bCNOOC Tianjin Research and Design Institute of Chemical Industry, Tianjin 300131, People's Republic of China
Correspondence e-mail: whf0618@163.com

In the title compound, C₁₇H₂₆O, the cyclohexyl ring adopts a chair conformation with the C-atom substituents in equatorial sites. The H atom of the O-H group is disordered over two positions of equal occupancy. In the crystal, O-HO hydrogen bonds lead to [010] chains.

Related literature

For a related structure, see: Wang et al. (2006). For applications of phenol derivatives, see: Eidenschink et al. (1978); Hu et al. (2003).

Experimental

Crystal data

C₁₇H₂₆O
M_r = 246.38
Monoclinic, P 2₁ /c
a = 21.002 (4) Å
b = 5.3281 (11) Å
c = 13.389 (3) Å
= 105.87 (3)°
V = 1441.2 (5) Å³
Z = 4
Mo K radiation
= 0.07 mm^-1
T = 113 K
0.24 × 0.20 × 0.10 mm

Data collection

Rigaku Saturn CCD diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2005) T_min = 0.984, T_max = 0.993
10687 measured reflections
2827 independent reflections
2314 reflections with I > 2(I)
R_int = 0.040

Refinement

R[F² > 2(F²)] = 0.056
wR(F²) = 0.151
S = 1.11
2827 reflections
170 parameters
2 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.19 e Å^-3
_min = -0.25 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1-H1BO1ⁱ	0.84 (2)	2.06 (2)	2.886 (2)	170 (4)
O1-H1AO1ⁱⁱ	0.87 (2)	1.99 (2)	2.836 (2)	165 (4)
Symmetry codes: (i) -x+1, -y, -z; (ii) -x+1, -y+1, -z.

Data collection: CrystalClear (Rigaku/MSC, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB5011 ).

References

Eidenschink, R., Krause, J. & Pohl, L. (1978). US Patent No. 4 130 502.
Hu, B. H., Xia, Y. T., Zhou, Y. B., Meng, F. M., Chen, X. & Fu, W. G. (2003). Chinese Patent No. 1 463 961.
Rigaku/MSC (2005). CrystalClear and CrystalStructure. Rigaku/MSC, The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Wang, H.-F., Guo, Y., Zhang, H., Zeng, T. & Li, H.-B. (2006). Acta Cryst. E62, o3721-o3722.

organic compounds