Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 4 (April 2013)


organic compounds



rz5045 scheme

Acta Cryst. (2013). E69, o464-o465    [ doi:10.1107/S1600536813005369 ]

3-(4-Chlorophenyl)-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide ethanol monosolvate

C. K. Quah, H.-K. Fun, T. Suwunwong, N. Boonnak and S. Chantrapromma

Abstract: The asymmetric unit of the title compound, C18H18ClN3OS·C2H5OH, comprises a pyrazoline derivative and an ethanol solvent molecule. In the molecule of the pyrazoline derivative, the pyrazole ring adopts an envelope conformation with the C atom bearing the ethoxyphenyl substituent as the flap. The dihedral angle between the benzene rings is 74.22 (7)°. The ethoxy group is coplanar with the attached benzene ring [C-O-C-Cmethyl = 175.50 (11)° and r.m.s. deviation = 0.0459 (1) Å for the nine non-H atoms]. In the crystal, the pyrazoline molecules are linked by N-H...Oethoxy hydrogen bonds into chains along the c axis and are further linked with the solvent ethanol molecules by N-H...Oethanol and Oethanol-H...S hydrogen bonds. C-H...[pi] interactions are also present.


htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536813005369/rz5045sup0.html ]
Supplementary materials


cmldisplay filedownload file

Chemical Markup Language (CML) file (7.3 kbytes)
[ doi:10.1107/S1600536813005369/rz5045Isup3.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