trans-1,2,3-Tris(4-methoxy­benzo­yl)cyclo­propane

Sun, J.; She, N.

doi:10.1107/S1600536809005145

Volume 65
Part 3
Page o588
March 2009

Received 10 December 2008
Accepted 12 February 2009
Online 25 February 2009

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.003 Å
R = 0.057
wR = 0.155
Data-to-parameter ratio = 14.4
Details

trans-1,2,3-Tris(4-methoxybenzoyl)cyclopropane

Jingjing Sun ^a ^* and Nengfang She ^a

^aKey Laboratory of Pesticides and Chemical Biology of the Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, People's Republic of China
Correspondence e-mail: ajsun@mails.ccnu.edu.cn

In the title compound, C₂₇H₂₄O₆, the packing of the molecules is mainly governed by C-HO interactions.

Related literature

For related structures, see: Saba (1990). For background to the chemistry of cyclopropanes as a versatile tool in organic synthesis, see: Wong (1989).

Experimental

Crystal data

C₂₇H₂₄O₆
M_r = 444.46
Triclinic, $[P \overline 1]$
a = 10.1897 (6) Å
b = 10.626 (6) Å
c = 10.6931 (6) Å
= 90.736 (1)°
= 103.194 (1)°
= 92.432 (1)°
V = 1125.9 (6) Å³
Z = 2
Mo K radiation
= 0.09 mm^-1
T = 298 K
0.30 × 0.20 × 0.10 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: none
9852 measured reflections
4349 independent reflections
2862 reflections with I > 2(I)
R_int = 0.031

Refinement

R[F² > 2(F²)] = 0.057
wR(F²) = 0.155
S = 1.06
4349 reflections
301 parameters
H-atom parameters constrained
_max = 0.19 e Å^-3
_min = -0.17 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
C26-H26O2ⁱ	0.93	2.54	3.467 (3)	175
C11-H11O6ⁱⁱ	0.98	2.51	3.270 (3)	134
C7-H7O5ⁱⁱⁱ	0.93	2.52	3.171 (3)	128
C9-H9O3ⁱⁱⁱ	0.98	2.55	3.497 (3)	164
C27-H27BO4^iv	0.96	2.58	3.136 (3)	117
Symmetry codes: (i) -x+1, -y+2, -z+1; (ii) x+1, y, z; (iii) -x+1, -y+2, -z; (iv) -x, -y+1, -z+1.

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); 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: RK2123 ).

Acknowledgements

The authors thank Professor An-Xin Wu for technical assistance and Dr Xiang-Gao Meng for the data collection.

References

Bruker (2001). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Saba, A. (1990). J. Chem. Res. Synop. 9, 288-289.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Wong, H. N. C. (1989). Chem. Rev. 89, 165-198.

organic compounds