3,5-Diamino-6-(2-methylphenyl)-1,2,4-triazine Monohydrate: an Analogue of Lamotrigine

Abstract

The asymmetric unit of 2C 10 H 11 N 5 .H 2 O contains two conformers of the triazine molecule and a water molecule; each conformer has distinct dihedral angles between the respective phenyl and triazine rings [100.8(1) and 61.7(1)°]. These two conformers exhibit significant differences in certain bond lengths and angles which may arise because of their different dihedral angles. Although crystallized from acetonitrile, the extensive hydrogen-bonding network that maintains the crystal structure incorporates a water molecule