Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 6 (June 2013)


organic compounds



qm2098 scheme

Acta Cryst. (2013). E69, o888    [ doi:10.1107/S1600536813012725 ]

2-(1-Amino-4-tert-butylcyclohexyl)acetic acid (tBu-[beta]3,3-Ac6c) hemihydrate

N. Ahmad Wani, V. K. Gupta, R. Kant, S. Aravinda and R. Rai

Abstract: The title compound, C12H23NO2·0.5H2O, crystallized with two 2-(1-amino-4-tert-butylcyclohexyl)acetic acid molecules, which are present as zwitterions, and one water molecule in the asymmetric unit. The molecular structure of each zwitterion is stabilized by an intramolecular six-membered (C6 ) N-H...O hydrogen bond. In the crystal, the two independent zwitterions are linked head-to-head by N-H...O hydrogen bonds. Further O-H...O and N-H...O hydrogen bonds link the zwitterions and the water molecules, forming sandwich-like layers, with a hydrophilic filling and a hydrophobic exterior, lying parallel to the ab plane.


htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536813012725/qm2098sup0.html ]
Supplementary materials


cmldisplay filedownload file

Chemical Markup Language (CML) file (5.1 kbytes)
[ doi:10.1107/S1600536813012725/qm2098Isup3.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