Ethyl 5-(4-aminophenyl)isoxazole-3-carboxylate

Abstract

The asymmetric unit of the title compound, C12H12N2O3, contains two mol­ecules in which the benzene and isoxazole rings are almost coplanar, the dihedral angles between their mean planes being 1.76 (9) and 5.85 (8)°. The two mol­ecules inter­act with each other via N—H⋯N and N—H⋯O hydrogen bonds, which link the mol­ecules into layers parallel to the ac plane. The layers stack in a parallel mode with an inter­layer distance of 3.36 (7) Å.

Synthesis and Characterization of Isoxazole‐Based Energetic Plasticizer Candidates EEIN and IDN

“…Both molecules have nearly identical bond lengths, bond angles, and torsion angles, consistent with those reported for other isoxazole‐based molecules . A superimposition of the two structures yields a r.m.s.…”

Crystal structure and Hirshfeld surface analysis of ethyl 5-phenylisoxazole-3-carboxylate

“…isoxazole-3-carboxylate (CSD refcode YAVRIY; Zhao et al, 2012). This compound crystallizes with two independent molecules in the asymmetric unit.…”