STRUCTURE AND ABSOLUTE-CONFIGURATION OF 2,4-TRIAZOL-1-YL)METHYL]-1-METHYL-1H-BENZOTRIAZOLE (VOROZOLE) AND ITS HYDROBROMIDE MONOHYDRATE())

The orophenyl)(1H-1,2,4-triazol-1-yl)methyl]-1-methyl- 1H-benzotriazol e base (I) and its hydrobromide salt (II) show similar bond angles exc ept for the C-N-C angle of the 1,2,4-triazolyl moiety, which is smalle r in (I) than in (II) because of the presence of the lone-pair electro ns on the N atom of (I). The molecular conformation of both structures is different, the dihedral angles between the planar moieties are 105 .3 (2), 84.6 (1) and 81.3 (1)degrees in (I) and 110.4 (2), 79.2 (2) an d 108.8 (2)degrees in (II). The absolute configuration at the central chiral C atom of both molecules is S.