RESUMEN
The mol-ecule of the title compound, C(12)H(10)N(4)O(4), displays an E configuration about the C=N bond. The dihedral angle between the benzene and isoxazole rings is 1.36â (5)° and the mol-ecular conformation is stabilized by the an intra-molecular C-Hâ¯N hydrogen bond. In the crystal structure, centrosymmetrically related mol-ecules are connected by pairs of N-Hâ¯O hydrogen bonds into dimers, which are further linked into a three-dimensional network by inter-molecular C-Hâ¯O hydrogen bonds and by πâ¯π stacking inter-actions involving adjacent benzene and isoxazole rings, with a centroid-centroid separation of 3.861â (3)â Å.
RESUMEN
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 0.0814â Å from the plane through all the non-H atoms. The dihedral angle formed by the benzene and isoxazole rings is 6.88â (16)°. The mol-ecular conformation is stabilized by an intra-molecular C-Hâ¯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-Hâ¯O hydrogen bonds form centrosymmetric dimers which are further linked by weak C-Hâ¯N inter-actions augmented by very weak C-Hâ¯π contacts, forming layers parallel to (120).
RESUMEN
In the structure of the title compound, C(12)H(11)N(3)O(3)·H(2)O, the dihedral angle formed by the benzene and isoxazole rings is 2.03â (8)°. The mol-ecular conformation is stabilized by an intra-molecular O-Hâ¯N hydrogen bond. In the crystal structure, mol-ecules are linked into a three-dimesional network by inter-molecular N-Hâ¯O, O-Hâ¯N and O-Hâ¯O hydrogen bonds, and by π-π stacking inter-actions involving adjacent benzene and isoxazole rings [centroid-centroid separation = 3.663â (2)â Å].