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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 [sigma](C-C) = 0.002 Å
R = 0.056
wR = 0.151
Data-to-parameter ratio = 16.6
Details
Open access

4-(4-Pentylcyclohexyl)phenol

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-H...O hydrogen bonds lead to [010] chains.

Related literature

For a related structure, see: Wang et al. (2006[Wang, H.-F., Guo, Y., Zhang, H., Zeng, T. & Li, H.-B. (2006). Acta Cryst. E62, o3721-o3722.]). For applications of phenol derivatives, see: Eidenschink et al. (1978[Eidenschink, R., Krause, J. & Pohl, L. (1978). US Patent No. 4 130 502.]); Hu et al. (2003[Hu, B. H., Xia, Y. T., Zhou, Y. B., Meng, F. M., Chen, X. & Fu, W. G. (2003). Chinese Patent No. 1 463 961.]).

[Scheme 1]

Experimental

Crystal data
  • C17H26O

  • Mr = 246.38

  • Monoclinic, P 21 /c

  • a = 21.002 (4) Å

  • b = 5.3281 (11) Å

  • c = 13.389 (3) Å

  • [beta] = 105.87 (3)°

  • V = 1441.2 (5) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 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[Rigaku/MSC (2005). CrystalClear and CrystalStructure. Rigaku/MSC, The Woodlands, Texas, USA.]) Tmin = 0.984, Tmax = 0.993

  • 10687 measured reflections

  • 2827 independent reflections

  • 2314 reflections with I > 2[sigma](I)

  • Rint = 0.040

Refinement
  • R[F2 > 2[sigma](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

  • [Delta][rho]max = 0.19 e Å-3

  • [Delta][rho]min = -0.25 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1-H1B...O1i 0.84 (2) 2.06 (2) 2.886 (2) 170 (4)
O1-H1A...O1ii 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[Rigaku/MSC (2005). CrystalClear and CrystalStructure. Rigaku/MSC, The Woodlands, Texas, USA.]); cell refinement: CrystalClear; data reduction: CrystalClear; 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); 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.  [CrossRef] [details]
Wang, H.-F., Guo, Y., Zhang, H., Zeng, T. & Li, H.-B. (2006). Acta Cryst. E62, o3721-o3722.  [CSD] [CrossRef] [details]


Acta Cryst (2009). E65, o1717  [ doi:10.1107/S1600536809024027 ]

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