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5-Methyl-N′-(3-nitrobenzylidene)isoxazole-4-carbohydrazide

The mol­ecule 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 mol­ecular conformation is stabilized by the an intra­molecular C—H⋯N hydrogen bond. In the crystal structure, cent...

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Autor principal: Jin, Yan-Xian
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980216/
https://www.ncbi.nlm.nih.gov/pubmed/21580150
http://dx.doi.org/10.1107/S1600536809051733
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author Jin, Yan-Xian
author_facet Jin, Yan-Xian
author_sort Jin, Yan-Xian
collection PubMed
description The mol­ecule 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 mol­ecular conformation is stabilized by the an intra­molecular C—H⋯N hydrogen bond. In the crystal structure, centrosymmetrically related mol­ecules are connected by pairs of N—H⋯O hydrogen bonds into dimers, which are further linked into a three-dimensional network by inter­molecular C—H⋯O hydrogen bonds and by π⋯π stacking inter­actions involving adjacent benzene and isoxazole rings, with a centroid–centroid separation of 3.861 (3) Å.
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spelling pubmed-29802162010-12-30 5-Methyl-N′-(3-nitrobenzylidene)isoxazole-4-carbohydrazide Jin, Yan-Xian Acta Crystallogr Sect E Struct Rep Online Organic Papers The mol­ecule 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 mol­ecular conformation is stabilized by the an intra­molecular C—H⋯N hydrogen bond. In the crystal structure, centrosymmetrically related mol­ecules are connected by pairs of N—H⋯O hydrogen bonds into dimers, which are further linked into a three-dimensional network by inter­molecular C—H⋯O hydrogen bonds and by π⋯π stacking inter­actions involving adjacent benzene and isoxazole rings, with a centroid–centroid separation of 3.861 (3) Å. International Union of Crystallography 2009-12-04 /pmc/articles/PMC2980216/ /pubmed/21580150 http://dx.doi.org/10.1107/S1600536809051733 Text en © Yan-Xian Jin 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Jin, Yan-Xian
5-Methyl-N′-(3-nitrobenzylidene)isoxazole-4-carbohydrazide
title 5-Methyl-N′-(3-nitrobenzylidene)isoxazole-4-carbohydrazide
title_full 5-Methyl-N′-(3-nitrobenzylidene)isoxazole-4-carbohydrazide
title_fullStr 5-Methyl-N′-(3-nitrobenzylidene)isoxazole-4-carbohydrazide
title_full_unstemmed 5-Methyl-N′-(3-nitrobenzylidene)isoxazole-4-carbohydrazide
title_short 5-Methyl-N′-(3-nitrobenzylidene)isoxazole-4-carbohydrazide
title_sort 5-methyl-n′-(3-nitrobenzylidene)isoxazole-4-carbohydrazide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980216/
https://www.ncbi.nlm.nih.gov/pubmed/21580150
http://dx.doi.org/10.1107/S1600536809051733
work_keys_str_mv AT jinyanxian 5methyln3nitrobenzylideneisoxazole4carbohydrazide