
TY  - JOUR
A1  - Andrews, PR 
A1  - Gulbis, JM 
A1  - Iskander, MN 
A1  - Mackay, MF 
A1  - Dipaola, C 
T1  - Structure and Conformations of GABA-Transaminase Inhibitors. V. 4-[(2-Hydroxy-3,6-dimethylbenzyl)-methylamino]butanoic Acid Monohydrate
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1988
VL  - 41
IS  - 10
SP  - 1607
EP  - 1611
KW  - 
UR  - https://doi.org/10.1071/CH9881607 
N2  - 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. 
ER  -

