Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 8 (August 2013)


organic compounds



ld2109 scheme

Acta Cryst. (2013). E69, o1231    [ doi:10.1107/S1600536813018503 ]

Ethyl (Z)-4'-(4-ethoxy-1-hydroxy-3,4-dioxobut-1-en-1-yl)-[1,1'-biphenyl]-3-carboxylate

Y. Ishikawa and A. Ugai

Abstract: The 1,3-diketone group of the title compound, C21H20O6, exists in a keto-enol form stabilized by a strong intramolecular O-H...O hydrogen bond. As a result, a planar (mean deviation = 0.0099 Å) six-membered hydrogen-bonded ring is formed. The C-O and C-C bond lengths suggest significant electron delocalization in the ring. The dihedral angle between the six-membered hydrogen-bonded ring and its adjacent benzene ring is 8.78 (5)° and that between the benzene rings is 19.70 (5)°. In the crystal, molecules are packed in a layered structure parallel to the b axis through C-H...O and [pi]-[pi] interactions [centroid-centroid distance between stacked benzene rings = 3.868 (2) Å].


htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536813018503/ld2109sup0.html ]
Supplementary materials


cmldisplay filedownload file

Chemical Markup Language (CML) file (7.0 kbytes)
[ doi:10.1107/S1600536813018503/ld2109Isup3.cml ]
Supplementary material


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