Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 11 (November 2012)

organic compounds

Acta Cryst. (2012). E68, o3095-o3096    [ doi:10.1107/S1600536812041244 ]


S. Zheng, D. Resch, T. Honda and J. P. Jasinski

Abstract: The anti-inflammatory and cytoprotective tricyclic title compound, C21H18N2O2, also known as TBE-31, crystallizes with two nearly superimposable mol­ecules in the asymmetric unit. In both mol­ecules, the three ring systems conform to an envelope-chair-planar arrangement. The central ring, in a cyclohexane chair conformation, contains an axial ethynyl group that bends slightly off from a nearby axial methyl group because of the 1,3-diaxial repulsion between the two groups. In the crystal, weak C-H...N and C-H...O inter­actions form chains along [001].

htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536812041244/qk2041sup0.html ]
Supplementary materials

cmldisplay filedownload file

Chemical Markup Language (CML) file
[ doi:10.1107/S1600536812041244/qk2041Isup3.cml ]
Supplementary material


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