Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 4 (April 2013)

organic compounds

Acta Cryst. (2013). E69, o564    [ doi:10.1107/S1600536813007435 ]


S. Murugavel, N. Manikandan, R. Selvakumar and M. Bakthadoss

Abstract: In the title compound, C16H11Cl2NOS, the seven-membered thia­zepine ring adopts a distorted twist-boat conformation. The dihedral angle between the mean plane of the benzothia­zepine ring system and the benzene ring is 78.6 (1)°. The mol­ecular conformation is stabilized by a weak intra­molecular C-H...Cl hydrogen bond, which generates an S(5) ring motif. In the crystal, pairs of N-H...O hydrogen bonds link inversion-related mol­ecules into dimers, generating R22(8) ring motifs. The crystal packing also features alternating [pi]-[pi] inter­actions between benzothia­zepine benzene rings [inter-centroid distance = 3.740 (3) Å] and dichloro­benzene rings [inter-centroid distance = 3.882 (3) Å] to consolidate a three-dimensional architecture.

htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536813007435/tk5208sup0.html ]
Supplementary materials

cmldisplay filedownload file

Chemical Markup Language (CML) file
[ doi:10.1107/S1600536813007435/tk5208Isup3.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