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

Acta Crystallogr Sect E Struct Rep Online. 2014 Sep 3;70(Pt 10):o1083-4. doi: 10.1107/S160053681401931X. eCollection 2014 Oct 1.

Abstract

The title compound, C9H10N4O, was obtained unintentionally by hydrolysis of 4-amino-1-benzyl-5-methyl-sulfanyl-1,2,4-triazolium tetra-fluoro-borate in the presence of sodium azide. In the crystal, alternating layers of polar amino-triazolinone 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.

Keywords: 1,2,4-triazolin-5-one; crystal structure; hydrogen bonding.