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5-Methyl-N'-(3-nitrobenzylidene)isoxazole-4-carbohydrazide.

ABSTRACT: 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 1.36?(5)° and the mol-ecular conformation is stabilized by the an intra-molecular C-H?N hydrogen bond. In the crystal structure, centrosymmetrically related mol-ecules are connected by pairs of N-H?O hydrogen bonds into dimers, which are further linked into a three-dimensional network by inter-molecular C-H?O hydrogen bonds and by ??? stacking inter-actions involving adjacent benzene and isoxazole rings, with a centroid-centroid separation of 3.861?(3)?Å.

SUBMITTER: Jin YX

PROVIDER: S-EPMC2980216 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

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5-Methyl-N'-(3-nitrobenzylidene)isoxazole-4-carbohydrazide.

Jin Yan-Xian YX

Acta crystallographica. Section E, Structure reports online 20091204 Pt 1

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 1.36 (5)° and the mol-ecular conformation is stabilized by the an intra-molecular C-H⋯N hydrogen bond. In the crystal structure, centrosymmetrically related mol-ecules are connected by pairs of N-H⋯O hydrogen bonds into dimers, which are further linked into a three-dimensional network by inter-molecular C-H⋯O hydrogen bonds and by ...[more]

PMID: 21580150

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