Ontology highlight
ABSTRACT:
SUBMITTER: Jin YX
PROVIDER: S-EPMC2980173 | biostudies-literature | 2009 Dec
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20091212 Pt 1
The mol-ecule of the title compound, C(12)H(11)N(3)O(2), is approximately planar with an r.m.s. deviation of 0.0814 Å from the plane through all the non-H atoms. The dihedral angle formed by the benzene and isoxazole rings is 6.88 (16)°. The mol-ecular conformation is stabilized by an intra-molecular C-H⋯N hydrogen bond, forming an S(6) ring, and the mol-ecule displays an E configuration with respect to the C=N double bond. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds form cent ...[more]