Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 12 (December 2013)

organic compounds

Acta Cryst. (2013). E69, o1856-o1857    [ doi:10.1107/S1600536813032170 ]

2-Methyl­aspartic acid monohydrate

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

Abstract: The title compound, C5H9NO4·H2O, is an isomer of the [alpha]-amino acid glutamic acid that crystallizes from water in its zwitterionic form as a monohydrate. It is not one of the 20 proteinogenic [alpha]-amino acids that are used in living systems and differs from the natural amino acids in that it has an [alpha]-methyl group rather than an [alpha]-H atom. In the crystal, an O-H...O hydrogen bond is present between the acid and water mol­ecules while extensive N-H...O and O-H...O hydrogen bonds link the components into a three-dimensional array.

CCDC reference: 953406

htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file (57.4 kbytes)
[ doi:10.1107/S1600536813032170/hg5362sup0.html ]
Supplementary materials

cmldisplay filedownload file

Chemical Markup Language (CML) file (3.4 kbytes)
[ doi:10.1107/S1600536813032170/hg5362Isup3.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