title: 3-Amino-1,2,4-triazine.
abstract: In the crystal structure of 3-amino-1,2,4-triazine, C(3)H(4)N(4), the molecules form hydrogen-bonded chains that are almost parallel to the b axis (3.2 degrees), and which are inclined to the a and c axes by approximately 21 and approximately 69 degrees, respectively. The distortion of the 1,2,4-triazine ring in the crystal is compared with gas-phase ab initio molecular-orbital calculations.
authors.affiliation: Departamento de Fisica, Instituto de Ciências Exatas e Biológicas, Universidade Federal de Ouro Preto, CEP 35.400-000, Ouro Preto, MG, Brazil.
authors.forename: Genivaldo Julio
authors.initials: GJ
authors.lastname: Perpétuo
authors.forename: Jan
authors.initials: J
authors.lastname: Janczak