Acta Crystallographica Section E: Structure Reports Online, ( ISI ), Volume (68), No (8), Year (2012-8) , Pages (2530-2530)

Title : ( 5Amino-3-methyl-1,2-oxazole-4-carbo- nitrile )

Authors: samad shoghpour bayraq , Amir Keykha , Hadi Amiri Rudbari , Mohammad Rahimizadeh , Mehdi Bakavoli , Mehrdad Pourayoubi , Francesco Nicolò ,
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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 sp2 character (sum of bond angles around this atom = 358°). In the crystal, molecules are aggregated by two kinds of N—H…N hydrogen bonds into fused R22(12) and R66(26) rings, forming a slightly puckered two-dimensional array lying parallel to (101).

Keywords

, single, crystal X, ray study; T = 296 K; mean σ(C–C) = 0.002 Å; R factor = 0.035; wR factor = 0.107; data, to, parameter ratio = 14.0.