Acta Crystallographica Section E

Volume 67, Part 7 (July 2011)


organic compounds



dn2693 scheme

Acta Cryst. (2011). E67, o1607    [ doi:10.1107/S1600536811021337 ]

2-Ureido-1,3-thiazol-3-ium dihydrogen phosphate

K. Gubina, I. Shatrava, V. Ovchynnikov and V. Amirkhanov

Abstract: The title compound, C4H6N3OS+·H2PO4-, (I), was obtained as a result of hydrolysis of [(1,3-thiazol-2-ylamino)carbonyl]phosphoramidic acid, (II), in water. X-ray analysis has shown that the N-P bond in (II) breaks, leading to the formation of the substituted carbamide (I). This compound exists as an internal salt. The unit cell consists of a urea cation and an anion of H2PO4-. Protonation of the N atom of the heterocyclic ring was confirmed by the location of the H atom in a difference Fourier map. The molecules of substituted urea are connected by O...O hydrogen bonds into unlimited planes. In turn, those planes are connected to each other via N-H...O hydrogen bonds with molecules of phosphoric acid, forming a three-dimensional polymer.


htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file (52.1 kbytes)
[ doi:10.1107/S1600536811021337/dn2693sup0.html ]
Supplementary materials


cmldisplay filedownload file

Chemical Markup Language (CML) file (3.9 kbytes)
[ doi:10.1107/S1600536811021337/dn2693Isup3.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