Background
Type: Article

5-Amino-3-methyl-1,2-oxazole-4-carbonitrile

Journal: Acta Crystallographica Section E: Structure Reports Online (16005368)Year: 2012/08/01Volume: 68Issue: 8
Bayraq S.S.Keykha, AmirAmiri Rudbari H.aRahimizadeh M. Bakavoli M.Pourayoubi M. Nicolò F.
Green • GoldDOI:10.1107/S1600536812032667Language: English

Abstract

In the title compound, C5H5N3O, the isoxazole ring is essentially planar, with a maximum deviation of 0.007 (1) Å from the least-squares plane. The N atom of the amine group exhibits sp 2 character (sum of bond angles around this atom = 358°). In the crystal, mol-ecules are aggregated by two kinds of N-H⋯N hydrogen bonds into fused R 2 2(12) and R 6 6(26) rings, forming a slightly puckered two-dimensional array lying parallel to (101).


Author Keywords

data-to-parameter ratio = 14.0mean σ(C-C) = 0.002 ÅR factor = 0.035single-crystal X-ray studyT = 296 KwR factor = 0.107