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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...

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Detalles Bibliográficos
Autores principales: Jin, Yan-Xian, Jia, Wen-Ping, Wu, Jun-Yong, Yan, Hua
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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).
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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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