Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 11 (November 2013)


organic compounds



sj5354 scheme

Acta Cryst. (2013). E69, o1623-o1624    [ doi:10.1107/S1600536813027244 ]

1-Methyl-4-[(E)-2-(3-hy­droxy-4-meth­oxy­phen­yl)ethen­yl]pyridinium 4-bromo­benzene­sulfonate monohydrate

S. Chantrapromma, P. Ruanwas, B. Jindawong and H.-K. Fun

Abstract: In the title hydrated salt, C15H16NO2+·C6H4BrO3S-·H2O, the cation exists in an E conformation with respect to the ethenyl bond and is almost planar, with a dihedral angle of 2.62 (12)° between the planes of the pyridinium and benzene rings. The meth­oxy substituent deviates slightly from the plane of its attached benzene ring [Cmeth­yl-O-C-C torsion angle = -11.6 (6)°]. In the crystal, the cations, anion and water mol­ecules are linked together into chains along [010] by O-H...O hydrogen bonds and weak C-H...O inter­actions. There is a short Br...O contact [3.029 (2) Å]. The crystal structure also features C-H...[pi] inter­actions involving the benzene ring of the anion.


htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536813027244/sj5354sup0.html ]
Supplementary materials


cmldisplay filedownload file

Chemical Markup Language (CML) file (7.9 kbytes)
[ doi:10.1107/S1600536813027244/sj5354Isup3.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