Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 9 (September 2012)


organic compounds



fj2574 scheme

Acta Cryst. (2012). E68, o2695-o2696    [ doi:10.1107/S1600536812034794 ]

1-[(4-Chlorophenyl)(phenyl)methyl]piperazine-1,4-diium bis(trichloroacetate)-trichloroacetic acid (1/1)

Y. Song, C. S. Chidan Kumar, M. Akkurt, S. Chandraju and H. Li

Abstract: In the title salt adduct, C17H21ClN22+·2C2Cl3O2-·C2HCl3O2, the Cl atom of the dication is disordered over two positions in a 0.915 (3):0.085 (3) ratio. The Cl atoms in the trichloroacetate anions and trichloroacetic acid molecule are also disordered, with refined site-occupation factors of 0.59 (3):0.41 (3), 0.503 (12):0.417 (12) and 0.653 (12):0.347 (12). The piperazine ring adopts a chair conformation, with puckering parameters QT = 0.587 (3) Å, [theta] = 2.6 (2) and [Phi] 334 (6)°. In the crystal, neighbouring molecules are linked by N-H...O, O-H...O, N-H...Cl, C-H...O and C-H...Cl hydrogen bonds, forming a three-dimensional network.


htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536812034794/fj2574sup0.html ]
Supplementary materials


cmldisplay filedownload file

Chemical Markup Language (CML) file (9.8 kbytes)
[ doi:10.1107/S1600536812034794/fj2574Isup3.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