Acta Crystallographica Section C

Volume 65, Part 7 (July 2009)


organic compounds



fa3186 scheme

Acta Cryst. (2009). C65, o311-o313    [ doi:10.1107/S0108270109019702 ]

1,2,3-Trimethoxy-4-[(E)-2-phenylvinyl]benzene and (E,E)-1,4-bis(2,3,4-trimethoxyphenyl)buta-1,3-diene

J. Sopková-de Oliveira Santos, M.-A. Bazin, J.-F. Lohier, L. El Kihel and S. Rault

Abstract: The stilbene derivative 1,2,3-trimethoxy-4-[(E)-2-phenylvinyl]benzene, C17H18O3, (I), and its homocoupling co-product (E,E)-1,4-bis(2,3,4-trimethoxyphenyl)buta-1,3-diene, C22H26O6, (II), both have double bonds in trans conformations in their conjugated linkages. In the structure of stilbene (I), the aromatic rings deviate significantly from coplanarity, in contrast with coproduct (II), the core of which is rigorously planar. The deviation in stilbene (I) seems to be driven by intermolecular electrostatic interactions. Diene (II) sits on a crystallographic inversion centre, which bisects the conjugated linkage.

Formula: C17H18O3 and C22H26O6


hkldisplay filedownload file

Structure factor file (CIF format) (312.9 kbytes)
[ doi:10.1107/S0108270109019702/fa3186Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (212.3 kbytes)
[ doi:10.1107/S0108270109019702/fa3186IIsup3.hkl ]
Contains datablock II


Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

 bibliographic record in  format

  Find reference:   Volume   Page   
  Search:     From   to      Advanced search

Copyright © International Union of Crystallography
IUCr Webmaster