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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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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2980216 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |