Crystal structure of 4-amino-1-benzyl-1,2,4-triazolin-5-one

Abstract

The title compound, C9H10N4O, was obtained unintentionally by hydrolysis of 4-amino-1-benzyl-5-methylsulfanyl-1,2,4-triazolium tetrafluoroborate in the presence of sodium azide. In the crystal, alternating layers of polar aminotriazolinone and apolar benzene moieties are observed. N—H...O hydrogen bonds between the amino and carbonyl groups form infinite chains along [010]. These infinite chains are linked by additional C—H...O contacts.