5-(4-Bromo­anilinomethyl­ene)-2,2-dimethyl-1,3-dioxane-4,6-dione

In the title compound, C(13)H(12)BrNO(4), the dihedral angles between the amino­methyl­ene group and the dioxane ring and between the benzyl ring and the amino­methyl­ene unit are 7.96 (4) and 12.15 (4)°, respectively. The dioxane ring shows a half-boat conformation, in which the C atom between the...

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Detalles Bibliográficos
Autores principales: Shi, Jian-You, Yang, Jin-Cheng, Yang, Jin-Liang
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970495/
https://www.ncbi.nlm.nih.gov/pubmed/21577913
http://dx.doi.org/10.1107/S1600536809035776
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author Shi, Jian-You
Yang, Jin-Cheng
Yang, Jin-Liang
author_facet Shi, Jian-You
Yang, Jin-Cheng
Yang, Jin-Liang
author_sort Shi, Jian-You
collection PubMed
description In the title compound, C(13)H(12)BrNO(4), the dihedral angles between the amino­methyl­ene group and the dioxane ring and between the benzyl ring and the amino­methyl­ene unit are 7.96 (4) and 12.15 (4)°, respectively. The dioxane ring shows a half-boat conformation, in which the C atom between the dioxane ring O atoms is 0.460 (8) Å out of the plane through the remaining ring atoms. An intra­molecular N—H⋯O hydrogen bond may stabilize the planar conformation of the mol­ecule. An inter­molecular C—H⋯O inter­action is also present.
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spelling pubmed-29704952010-12-30 5-(4-Bromo­anilinomethyl­ene)-2,2-dimethyl-1,3-dioxane-4,6-dione Shi, Jian-You Yang, Jin-Cheng Yang, Jin-Liang Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(13)H(12)BrNO(4), the dihedral angles between the amino­methyl­ene group and the dioxane ring and between the benzyl ring and the amino­methyl­ene unit are 7.96 (4) and 12.15 (4)°, respectively. The dioxane ring shows a half-boat conformation, in which the C atom between the dioxane ring O atoms is 0.460 (8) Å out of the plane through the remaining ring atoms. An intra­molecular N—H⋯O hydrogen bond may stabilize the planar conformation of the mol­ecule. An inter­molecular C—H⋯O inter­action is also present. International Union of Crystallography 2009-09-12 /pmc/articles/PMC2970495/ /pubmed/21577913 http://dx.doi.org/10.1107/S1600536809035776 Text en © Shi et al. 2009 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
Shi, Jian-You
Yang, Jin-Cheng
Yang, Jin-Liang
5-(4-Bromo­anilinomethyl­ene)-2,2-dimethyl-1,3-dioxane-4,6-dione
title 5-(4-Bromo­anilinomethyl­ene)-2,2-dimethyl-1,3-dioxane-4,6-dione
title_full 5-(4-Bromo­anilinomethyl­ene)-2,2-dimethyl-1,3-dioxane-4,6-dione
title_fullStr 5-(4-Bromo­anilinomethyl­ene)-2,2-dimethyl-1,3-dioxane-4,6-dione
title_full_unstemmed 5-(4-Bromo­anilinomethyl­ene)-2,2-dimethyl-1,3-dioxane-4,6-dione
title_short 5-(4-Bromo­anilinomethyl­ene)-2,2-dimethyl-1,3-dioxane-4,6-dione
title_sort 5-(4-bromo­anilinomethyl­ene)-2,2-dimethyl-1,3-dioxane-4,6-dione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970495/
https://www.ncbi.nlm.nih.gov/pubmed/21577913
http://dx.doi.org/10.1107/S1600536809035776
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AT yangjinliang 54bromoanilinomethylene22dimethyl13dioxane46dione

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