Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 12 (December 2013)

organic compounds

Acta Cryst. (2013). E69, o1829-o1830    [ doi:10.1107/S1600536813031620 ]

Isovaline monohydrate

R. J. Butcher, G. Brewer, A. S. Burton and J. P. Dworkin

Abstract: The title compound, C5H11NO2·H2O, is an isomer of the [alpha]-amino acid valine that crystallizes from water in its zwitterion form as a monohydrate. It is not one of the 20 proteinogenic amino acids that are used in living systems and differs from the natural amino acids in that it has no [alpha]-H atom. The compound exhibits hydrogen bonding between the water mol­ecule and the carboxyl­ate O atoms and an amine H atom. In addition, there are inter­molecular hydrogen-bonding inter­actions between the carboxyl­ate O atoms and amine H atoms. In the crystal, these extensive N-H...O and O-H...O hydrogen bonds lead to the formation of a three-dimensional network.

CCDC reference: 897401

htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file (53.6 kbytes)
[ doi:10.1107/S1600536813031620/jj2178sup0.html ]
Supplementary materials

cmldisplay filedownload file

Chemical Markup Language (CML) file (3.2 kbytes)
[ doi:10.1107/S1600536813031620/jj2178Isup3.cml ]
Supplementary material


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