Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 4 (April 2013)

organic compounds

Acta Cryst. (2013). E69, o498-o499    [ doi:10.1107/S1600536813005308 ]

Dimethyl 1-(4-methyl­phen­yl)-8-(thio­phen-2-yl)-11-oxatricyclo­[,7]undeca-2,4,6,9-tetra­ene-9,10-dicarboxy­late

B. Balakrishnan, M. Nandakumar, P. R. Seshadri and A. K. Mohanakrishnan

Abstract: The title compound, C25H20O5S, is the product of a Diels-Alder reaction. The mol­ecule consists of a fused tricyclic system containing two five-membered rings and one six-membered ring. The five-membered rings both show an envelope conformation with the O atom at the flap, whereas the six-membered ring adopts a boat conformation. The thio­phene ring is disordered over two sets of sites with an occupancy ratio of 0.53 (1):0.47 (1). The dihedral angles between the 4-methyl­phenyl ring and the major and minor components of the thio­phene ring are 66.3 (1) and 67.9 (1)°, respectively, while the dihedral angle between the disordered thio­phenyl components is 3.1 (1)°. The mean plane of the tricyclic ring system makes dihedral angles of 35.8 (1), 30.8 (1) and 32.8 (1)°, respectively, with the 4-methyl­phenyl ring and the major and minor components of the thio­phenyl ring. In the crystal, inversion dimers are formed through pairs of C-H...[pi] inter­actions. In addition, C-H...O inter­actions are observed.

htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536813005308/im2420sup0.html ]
Supplementary materials

cmldisplay filedownload file

Chemical Markup Language (CML) file
[ doi:10.1107/S1600536813005308/im2420Isup3.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