Taycher, Shteiman, Botoshansky
Jul 1, 2000
Citations
0
Influential Citations
0
Citations
Journal
Acta crystallographica. Section C, Crystal structure communications
Abstract
Methyl rearrangement in the solid state of 2,4-dimethoxy-6-(4-nitroanilino)-1,3,5-triazine reveals three different products: (II), C 11 H 11 N 5 O 4 H 2 O, (III), C 12 H 13 N 5 O 4 , and (IV), C 12 H 13 N 5 O 4 . (II) crystallizes with a molecule of water and (IV) crystallizes in two polymorphic forms. The conformation of the molecules is expressed by the torsion about the bond joining the triazine and the aniline moieties. The two moieties are almost coplanar in (II) due to an intramolecular hydrogen bond between a triazine-N atom and a phenyl-H atom. The methyl groups of the triazine exert severe steric repulsion in the other two compounds, affecting not only the conformation but also the exocyclic bond angles.