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(E)-N'-Benzyl-idene-5-methyl-isoxazole-4-carbohydrazide.


ABSTRACT: 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 centrosymmetric dimers which are further linked by weak C-H?N inter-actions augmented by very weak C-H?? contacts, forming layers parallel to (120).

SUBMITTER: Jin YX 

PROVIDER: S-EPMC2980173 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

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(E)-N'-Benzyl-idene-5-methyl-isoxazole-4-carbohydrazide.

Jin Yan-Xian YX   Jia Wen-Ping WP   Wu Jun-Yong JY   Yan Hua H  

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]

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