2,2-Dimethyl-5-triphenyl­methyl-1,3-dioxane

Zhang, M.; Yuan, X.-Y.; Liu, X.-M.

doi:10.1107/S1600536809000294

Volume 65
Part 2
Page o304
February 2009

Received 30 November 2008
Accepted 5 January 2009
Online 14 January 2009

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.003 Å
R = 0.055
wR = 0.193
Data-to-parameter ratio = 17.4
Details

2,2-Dimethyl-5-triphenylmethyl-1,3-dioxane

Min Zhang,^a ^* Xian-You Yuan ^a and Xing-Ming Liu ^a

^aDepartment of Biology and Chemistry, Hunan University of Science and Engineering, Yongzhou Hunan 425100, People's Republic of China
Correspondence e-mail: zm_zmcm@sina.com

The title compound, C₂₅H₂₆O₂, crystallizes with two crystallographically independent molecules in the asymmetric unit. The differences between the two molecules are marginal. The three benzene rings of each molecule are in a propeller orientation and the 1,3-dioxane ring adopts a chair conformation.

Related literature

For the synthesis of the compound, see: Whilt & Finnerty (1961); Yuan et al. (2007); Wang et al. (1995). For applications of this class of compounds, see: Wang, Yuan, Liu et al. (1996); Wang, Yuan, Lei & Liu (1996); Yuan et al. (2005). For related crystal structures, see: Chuprunov et al. (1981); Yuan et al. (2008).

Experimental

Crystal data

C₂₅H₂₆O₂
M_r = 358.47
Triclinic, $[P \overline 1]$
a = 10.7252 (18) Å
b = 11.6933 (19) Å
c = 15.840 (3) Å
= 89.574 (3)°
= 88.906 (3)°
= 86.427 (3)°
V = 1982.3 (6) Å³
Z = 4
Mo K radiation
= 0.07 mm^-1
T = 298 (2) K
0.45 × 0.38 × 0.29 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.967, T_max = 0.979
16710 measured reflections
8543 independent reflections
5142 reflections with I > 2(I)
R_int = 0.028

Refinement

R[F² > 2(F²)] = 0.055
wR(F²) = 0.193
S = 1.07
8543 reflections
491 parameters
H-atom parameters constrained
_max = 0.20 e Å^-3
_min = -0.24 e Å^-3

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; 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: BT2825 ).

Acknowledgements

This work was financially supported by the Key Scientific Research Project of the Hunan Provincial Education Department (No. 08 A023) and the Key Subject Construction Project of Hunan Province (No. 2006-180).

References

Bruker (1997). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chuprunov, E. V., Tarkhova, T. N., Korallova, T. Y., Simonov, M. A. & Belov, W. V. (1981). Zh. Strukt. Khim. 22, 191-192.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Wang, G. W., Yuan, X. Y., Lei, X. G. & Liu, Y. C. (1996). Chin. J. Appl. Chem. 11, 114-115.
Wang, G. W., Yuan, X. Y., Liu, Y. C., Guo, Q. X. & Lei, X. G. (1996). Indian J. Chem. Sect. B, 35, 583-585.
Wang, G. W., Yuan, X. Y., Liu, Y. C., Lei, X. G. & Guo, Q. X. (1995). J. Am. Oil Chem. Soc. 72, 83-87.
Whilt, J. W. & Finnerty, J. L. (1961). J. Org. Chem. 26, 2173-2177.
Yuan, X. Y., Yang, N. F., Luo, H. A. & Liu, Y. J. (2005). Chin. J. Org. Chem. 25, 1049-1052.
Yuan, X.-Y., Zhang, M. & Ng, S. W. (2008). Acta Cryst. E64, o1314.
Yuan, X. Y., Zhang, M. & Yuan, L. (2007). Chin. J. Org. Chem. 27, 1600-1604.

organic compounds