
%0 Journal Article
%A Andrews, PR 
%A Gulbis, JM 
%A Iskander, MN 
%A Mackay, MF 
%A Dipaola, C 
%T Structure and Conformations of GABA-Transaminase Inhibitors. V. 4-[(2-Hydroxy-3,6-dimethylbenzyl)-methylamino]butanoic Acid Monohydrate
%J Australian Journal of Chemistry
%D 1988/10/01
%V 41
%N 10
%P 1607-1611
%K 
%R https://doi.org/10.1071/CH9881607
%U https://www.publish.csiro.au/paper/CH9881607 
%X As part of a program to define conformational detail of potential inhibitors based on the calculated transition state of GABA-T, we report the crystal structure of the title compound. Crystals were triclinic and belong to the space group P&#299; with a 10.110(1), b 9.358(1), c 13.933&#506;, &#945; 90.37(1), &#946; 93.27(1), &#947; 88.12(1)&3176; and Z 4. Refinement on 3505 data measured with Cu K&#945; radiation converged at R 0.052. The two independent inhibitor molecules are essentially identical in conformation detail and are in a dipolar form. There is no intramolecular hydrogen bonding between the GABA nitrogen and phenolic oxygen but extensive intermolecular hydrogen bonding links the molecules into a three-dimensional network in the crystal. 
