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Volume 69 
Part 3 
Page o348  
March 2013  

Received 30 January 2013
Accepted 31 January 2013
Online 6 February 2013

Key indicators
Single-crystal X-ray study
T = 113 K
Mean [sigma](C-C) = 0.002 Å
R = 0.050
wR = 0.139
Data-to-parameter ratio = 19.6
Details
Open access

(4-Ethylcyclohexyl)(4-methoxyphenyl)methanone

aPharmacy Department of the Second Artillery General Hospital, Beijing 100088, People's Republic of China, and bMedical Material Purchasing Center of PLA General Hospital, Beijing 100088, People's Republic of China
Correspondence e-mail: chunlei.ding@yahoo.com

In the title compound, C16H22O2, the cyclohexane ring adopts a chair conformation and its mean plane subtends a dihedral angle of 54.2 (6)° with the benzene ring. The crystal structure is stabilized by van der Waals interactions only with no classical intermolecular hydrogen bonding observed.

Related literature

For details of SGLT2 inhibitors, a new class of hypoglycemic agents, see: Washburn (2009[Washburn, W. N. (2009). J. Med. Chem. 52, 1785-1794.]); Zhao et al. (2011[Zhao, W. J., Shi, Y. H., Zhao, G. L., Wang, Y. L., Shao, H., Tang, L. D. & Wang, J. W. (2011). Chin. Chem. Lett. 22, 1215-1218.]); Shao et al. (2011[Shao, H., Gao, Y. L., Lou, Y. Y., Wang, Y. L., Liu, W., Xu, W. R., Wang, J. W., Zhao, G. L. & Tang, L. D. (2011). Chin. J. Org. Chem. 31, 836-842.]). For the crystal structures of cyclohexyl derivertives, see: Wang et al. (2011[Wang, L., Chang, Z., Ding, C., Shao, H. & Sun, J. (2011). Acta Cryst. E67, o1173.]).

[Scheme 1]

Experimental

Crystal data
  • C16H22O2

  • Mr = 246.34

  • Monoclinic, P 21 /c

  • a = 7.613 (2) Å

  • b = 5.7513 (15) Å

  • c = 31.085 (9) Å

  • [beta] = 94.674 (4)°

  • V = 1356.5 (6) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.08 mm-1

  • T = 113 K

  • 0.20 × 0.18 × 0.10 mm

Data collection
  • Rigaku Saturn CCD area-detector diffractometer

  • Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2009)[Rigaku/MSC (2009). CrystalClear-SM Expert and CrystalClear. Rigaku/MSC, The Woodlands, Texas, USA.] Tmin = 0.985, Tmax = 0.992

  • 13145 measured reflections

  • 3235 independent reflections

  • 2576 reflections with I > 2[sigma](I)

  • Rint = 0.042

Refinement
  • R[F2 > 2[sigma](F2)] = 0.050

  • wR(F2) = 0.139

  • S = 1.06

  • 3235 reflections

  • 165 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.25 e Å-3

  • [Delta][rho]min = -0.18 e Å-3

Data collection: CrystalClear-SM Expert (Rigaku/MSC, 2009)[Rigaku/MSC (2009). CrystalClear-SM Expert and CrystalClear. Rigaku/MSC, The Woodlands, Texas, USA.]; cell refinement: CrystalClear-SM Expert; data reduction: CrystalClear-SM Expert; 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: HG5288 ).


References

Rigaku/MSC (2009). CrystalClear-SM Expert and CrystalClear. Rigaku/MSC, The Woodlands, Texas, USA.
Shao, H., Gao, Y. L., Lou, Y. Y., Wang, Y. L., Liu, W., Xu, W. R., Wang, J. W., Zhao, G. L. & Tang, L. D. (2011). Chin. J. Org. Chem. 31, 836-842.  [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Wang, L., Chang, Z., Ding, C., Shao, H. & Sun, J. (2011). Acta Cryst. E67, o1173.  [CSD] [CrossRef] [details]
Washburn, W. N. (2009). J. Med. Chem. 52, 1785-1794.  [ISI] [CrossRef] [PubMed] [ChemPort]
Zhao, W. J., Shi, Y. H., Zhao, G. L., Wang, Y. L., Shao, H., Tang, L. D. & Wang, J. W. (2011). Chin. Chem. Lett. 22, 1215-1218.  [ChemPort]


Acta Cryst (2013). E69, o348  [ doi:10.1107/S1600536813003279 ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.