Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 6 (June 2013)


organic compounds



qm2097 scheme

Acta Cryst. (2013). E69, o923    [ doi:10.1107/S1600536813013159 ]

3-Benzoyl-1-[4-(methylsulfanyl)phenyl]thiourea

R. de P. Castro, F. C. Macedo Jr, T. O. Brito, A. de Fátima and J. R. Sabino

Abstract: The title compound, C15H14N2OS2, adopts a helix conformation. An intramolecular N-H...O hydrogen bond leads to a six-membered pseudo-ring [r.m.s. deviation = 0.0212 Å, maximum deviation = 0.033 (1) Å for the N atom bearing the benzoyl group] in the central unit. The benzene and (methylsulfanyl)benzene ring [r.m.s = 0.0028 Å and largest deviation of 0.067 (3) Å for the methylsulfanyl C atom] make dihedral angles of 31.76 (8) and 54.68 (6)°, respectively, with the pseudo-ring plane. The dihedral angle between the benzene rings is 85.71 (8)°. In the crystal, pairs of weak N-H...S interactions form inversion dimers and mediate a linear chain along [001].


htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536813013159/qm2097sup0.html ]
Supplementary materials


cmldisplay filedownload file

Chemical Markup Language (CML) file (5.4 kbytes)
[ doi:10.1107/S1600536813013159/qm2097Isup3.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