(4-Ethyl­cyclo­hex­yl)(4-meth­oxy­phen­yl)methanone

Ding, C.-L.; Wu, Y.-J.; Zhang, Y.; Zhou, L.

doi:10.1107/S1600536813003279

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 (C-C) = 0.002 Å
R = 0.050
wR = 0.139
Data-to-parameter ratio = 19.6
Details

(4-Ethylcyclohexyl)(4-methoxyphenyl)methanone

Chun-Lei Ding,^a ^* Yong-Jie Wu,^b Yi Zhang ^a and Li Zhou ^a

^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); Zhao et al. (2011); Shao et al. (2011). For the crystal structures of cyclohexyl derivertives, see: Wang et al. (2011).

Experimental

Crystal data

C₁₆H₂₂O₂
M_r = 246.34
Monoclinic, P 2₁ /c
a = 7.613 (2) Å
b = 5.7513 (15) Å
c = 31.085 (9) Å
= 94.674 (4)°
V = 1356.5 (6) Å³
Z = 4
Mo K radiation
= 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) T_min = 0.985, T_max = 0.992
13145 measured reflections
3235 independent reflections
2576 reflections with I > 2(I)
R_int = 0.042

Refinement

R[F² > 2(F²)] = 0.050
wR(F²) = 0.139
S = 1.06
3235 reflections
165 parameters
H-atom parameters constrained
_max = 0.25 e Å^-3
_min = -0.18 e Å^-3

Data collection: CrystalClear-SM Expert (Rigaku/MSC, 2009); cell refinement: CrystalClear-SM Expert; data reduction: CrystalClear-SM Expert; 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: 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.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Wang, L., Chang, Z., Ding, C., Shao, H. & Sun, J. (2011). Acta Cryst. E67, o1173.
Washburn, W. N. (2009). J. Med. Chem. 52, 1785-1794.
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.

organic compounds