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
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