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(E)-N′-Benzylidene-5-methylisoxazole-4-carbohydrazide
The molecule 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 molecular conformation is stabilized by an intramolecula...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980173/ https://www.ncbi.nlm.nih.gov/pubmed/21580013 http://dx.doi.org/10.1107/S1600536809052969 |
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author | Jin, Yan-Xian Jia, Wen-Ping Wu, Jun-Yong Yan, Hua |
author_facet | Jin, Yan-Xian Jia, Wen-Ping Wu, Jun-Yong Yan, Hua |
author_sort | Jin, Yan-Xian |
collection | PubMed |
description | The molecule 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 molecular conformation is stabilized by an intramolecular C—H⋯N hydrogen bond, forming an S(6) ring, and the molecule displays an E configuration with respect to the C=N double bond. In the crystal structure, intermolecular N—H⋯O hydrogen bonds form centrosymmetric dimers which are further linked by weak C—H⋯N interactions augmented by very weak C—H⋯π contacts, forming layers parallel to (120). |
format | Text |
id | pubmed-2980173 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29801732010-12-30 (E)-N′-Benzylidene-5-methylisoxazole-4-carbohydrazide Jin, Yan-Xian Jia, Wen-Ping Wu, Jun-Yong Yan, Hua Acta Crystallogr Sect E Struct Rep Online Organic Papers The molecule 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 molecular conformation is stabilized by an intramolecular C—H⋯N hydrogen bond, forming an S(6) ring, and the molecule displays an E configuration with respect to the C=N double bond. In the crystal structure, intermolecular N—H⋯O hydrogen bonds form centrosymmetric dimers which are further linked by weak C—H⋯N interactions augmented by very weak C—H⋯π contacts, forming layers parallel to (120). International Union of Crystallography 2009-12-12 /pmc/articles/PMC2980173/ /pubmed/21580013 http://dx.doi.org/10.1107/S1600536809052969 Text en © Jin et al. 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 Jia, Wen-Ping Wu, Jun-Yong Yan, Hua (E)-N′-Benzylidene-5-methylisoxazole-4-carbohydrazide |
title | (E)-N′-Benzylidene-5-methylisoxazole-4-carbohydrazide |
title_full | (E)-N′-Benzylidene-5-methylisoxazole-4-carbohydrazide |
title_fullStr | (E)-N′-Benzylidene-5-methylisoxazole-4-carbohydrazide |
title_full_unstemmed | (E)-N′-Benzylidene-5-methylisoxazole-4-carbohydrazide |
title_short | (E)-N′-Benzylidene-5-methylisoxazole-4-carbohydrazide |
title_sort | (e)-n′-benzylidene-5-methylisoxazole-4-carbohydrazide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980173/ https://www.ncbi.nlm.nih.gov/pubmed/21580013 http://dx.doi.org/10.1107/S1600536809052969 |
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