Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 12 (December 2013)


organic compounds



sj5370 scheme

Acta Cryst. (2013). E69, o1851-o1852    [ doi:10.1107/S1600536813031917 ]

2-[(E)-2-(4-Hy­droxy-3-meth­oxy­phen­yl)ethen­yl]-1-methylpyridinium 4-bromo­benzene­sulfonate monohydrate

S. Chantrapromma, N. Boonnak, B. Jindawong and H.-K. Fun

Abstract: The title salt crystallized as the monohydrate C15H16NO2+·C6H4BrSO3-·H2O. The cation exists in an E conformation with respect to the ethynyl bond and is essentially planar, with a dihedral angle of 6.52 (14)° between the pyridinium and the benzene rings. The hy­droxy and meth­oxy substituents are coplanar with the benzene ring to which they are attached, with an r.m.s. deviation of 0.0116 (3) Å for the nine non-H atoms [Cmeth­yl-O-C-C torsion angle = -0.8 (4)°]. In the crystal, the cations and anions are stacked by [pi]-[pi] inter­actions, with centroid-centroid distances of 3.7818 (19) and 3.9004 (17) Å. The cations, anions and water mol­ecules are linked by O-H...O hydrogen bonds and weak C-H...O inter­actions, forming a three-dimensional network.


htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536813031917/sj5370sup0.html ]
Supplementary materials


cmldisplay filedownload file

Chemical Markup Language (CML) file (7.9 kbytes)
[ doi:10.1107/S1600536813031917/sj5370Isup3.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