[Journal logo]

Volume 70 
Part 1 
Page o51  
January 2014  

Received 27 November 2013
Accepted 7 December 2013
Online 14 December 2013

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.004 Å
R = 0.075
wR = 0.178
Data-to-parameter ratio = 13.5
Details
Open access

The chalcone ethyl 2-[4-(2-{2,4-bis­[(eth­oxy­carbon­yl)meth­oxy]benzo­yl}ethen­yl)phen­oxy]acetate

aSchool of Chemistry & Environmental Engineering, Jiujiang University, Jiujiang 332005, People's Republic of China
Correspondence e-mail: caoxxyu@126.com

In the title mol­ecule, C27H30O10, the benzene rings form a dihedral angle of 14.9 (2)°. The C=C bond is in an E conformation. In the crystal, weak C-H...O hydrogen bonds connect the mol­ecules, forming a three-dimensional network.

Related literature

For a related structure, see: Wang et al. (2011[Wang, J.-G., Wu, L., Zhong, C.-J., Ouyang, Z.-H. & Yi, D.-L. (2011). Acta Cryst. E67, o732.]).

[Scheme 1]

Experimental

Crystal data
  • C27H30O10

  • Mr = 514.51

  • Triclinic, [P \overline 1]

  • a = 7.8225 (16) Å

  • b = 13.579 (3) Å

  • c = 13.780 (3) Å

  • [alpha] = 63.004 (3)°

  • [beta] = 87.157 (4)°

  • [gamma] = 83.377 (4)°

  • V = 1295.6 (5) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.10 mm-1

  • T = 298 K

  • 0.12 × 0.10 × 0.10 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.988, Tmax = 0.990

  • 16520 measured reflections

  • 4538 independent reflections

  • 4137 reflections with I > 2[sigma](I)

  • Rint = 0.018

Refinement
  • R[F2 > 2[sigma](F2)] = 0.075

  • wR(F2) = 0.178

  • S = 1.20

  • 4538 reflections

  • 337 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.39 e Å-3

  • [Delta][rho]min = -0.23 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C3-H3...O1i 0.93 2.52 3.276 (4) 138
C16-H16B...O7ii 0.97 2.58 3.337 (4) 135
C20-H20B...O4ii 0.97 2.60 3.360 (4) 136
C24-H24B...O3iii 0.97 2.53 3.339 (4) 141
C27-H27B...O6iv 0.96 2.56 3.426 (4) 150
Symmetry codes: (i) -x+1, -y+1, -z+2; (ii) -x+1, -y, -z+2; (iii) x, y-1, z+1; (iv) x+1, y, z-1.

Data collection: APEX2 (Bruker, 2004[Bruker (2004). APEX2 and SAINT. Bruker AXS Inc. Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2004[Bruker (2004). APEX2 and SAINT. Bruker AXS Inc. Madison, Wisconsin, USA.]); data reduction: SAINT; 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: PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]); software used to prepare material for publication: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LH5675 ).


Acknowledgements

This study was funded by Jiangxi Provincial Department of Education (KJLD12047) and Jiangxi Provincial Department of Science and Technology (20132BBE50021).

References

Bruker (2004). APEX2 and SAINT. Bruker AXS Inc. Madison, Wisconsin, USA.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Wang, J.-G., Wu, L., Zhong, C.-J., Ouyang, Z.-H. & Yi, D.-L. (2011). Acta Cryst. E67, o732.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2014). E70, o51  [ doi:10.1107/S1600536813033114 ]

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.