Abstract
The molecule of the title compound, C12H11N3O2, 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 molecular conformation is stabilized by an intramolecular C—H⋯N hydrogen bond, forming an S(6) ring, and the molecule displays an E configuration with respect to the C=N double bond. In the crystal structure, intermolecular N—H⋯O hydrogen bonds form centrosymmetric dimers which are further linked by weak C—H⋯N interactions augmented by very weak C—H⋯π contacts, forming layers parallel to (120).
Highlights
The molecule of the title compound, C12H11N3O2, is approximately planar with an r.m.s. deviation of 0.0814 Afrom the plane through all the non-H atoms
The molecular conformation is stabilized by an intramolecular C—HÁ Á ÁN hydrogen bond, forming an S(6) ring, and the molecule displays an E configuration with respect to the C N double bond
Intermolecular N— HÁ Á ÁO hydrogen bonds form centrosymmetric dimers which are further linked by weak C—HÁ Á ÁN interactions augmented by very weak C—HÁ Á Á contacts, forming layers parallel to (120)
Summary
The dihedral angle formed by the benzene and isoxazole rings is 6.88 (16). The molecular conformation is stabilized by an intramolecular C—HÁ Á ÁN hydrogen bond, forming an S(6) ring, and the molecule displays an E configuration with respect to the C N double bond. Intermolecular N— HÁ Á ÁO hydrogen bonds form centrosymmetric dimers which are further linked by weak C—HÁ Á ÁN interactions augmented by very weak C—HÁ Á Á contacts, forming layers parallel to (120). Related literature For the biological activity and coordination ability of hydrazone compounds, see: Molina et al (1994); Khattab (2005); Reiter et al (1985). For reference bond-length parameters, see: Allen et al (1987). For hydrogen-bond motifs, see: Bernstein et al (1995)
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