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Crystal structure of 5-[4-(diethylamino)benzylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
The title compound, C(17)H(21)NO(4), consists of substituted Meldrum’s acid with a [4-(diethylamino)phenyl]methylidene fragment attached to the fifth position. The heterocycle assumes a distorted boat conformation. The planar part of heterocycle is almost coplanar with the benzene ring due to t...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647437/ https://www.ncbi.nlm.nih.gov/pubmed/26594416 http://dx.doi.org/10.1107/S2056989015017673 |
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author | Stepina, Egija Stepanovs, Dmitrijs Mierina, Inese Jure, Mara |
author_facet | Stepina, Egija Stepanovs, Dmitrijs Mierina, Inese Jure, Mara |
author_sort | Stepina, Egija |
collection | PubMed |
description | The title compound, C(17)H(21)NO(4), consists of substituted Meldrum’s acid with a [4-(diethylamino)phenyl]methylidene fragment attached to the fifth position. The heterocycle assumes a distorted boat conformation. The planar part of heterocycle is almost coplanar with the benzene ring due to the presence of a long conjugated system in the molecule. This leads to the formation of C—H⋯O-type intramolecular contacts. As a result of the absence of hydrogen-bond donors in the structure, the crystal packing is controlled by van der Waals forces and weak C—H⋯O interactions, which associate the molecules into inversion dimers. |
format | Online Article Text |
id | pubmed-4647437 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-46474372015-11-20 Crystal structure of 5-[4-(diethylamino)benzylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Stepina, Egija Stepanovs, Dmitrijs Mierina, Inese Jure, Mara Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(17)H(21)NO(4), consists of substituted Meldrum’s acid with a [4-(diethylamino)phenyl]methylidene fragment attached to the fifth position. The heterocycle assumes a distorted boat conformation. The planar part of heterocycle is almost coplanar with the benzene ring due to the presence of a long conjugated system in the molecule. This leads to the formation of C—H⋯O-type intramolecular contacts. As a result of the absence of hydrogen-bond donors in the structure, the crystal packing is controlled by van der Waals forces and weak C—H⋯O interactions, which associate the molecules into inversion dimers. International Union of Crystallography 2015-09-26 /pmc/articles/PMC4647437/ /pubmed/26594416 http://dx.doi.org/10.1107/S2056989015017673 Text en © Stepina et al. 2015 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 | Research Communications Stepina, Egija Stepanovs, Dmitrijs Mierina, Inese Jure, Mara Crystal structure of 5-[4-(diethylamino)benzylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione |
title | Crystal structure of 5-[4-(diethylamino)benzylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione |
title_full | Crystal structure of 5-[4-(diethylamino)benzylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione |
title_fullStr | Crystal structure of 5-[4-(diethylamino)benzylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione |
title_full_unstemmed | Crystal structure of 5-[4-(diethylamino)benzylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione |
title_short | Crystal structure of 5-[4-(diethylamino)benzylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione |
title_sort | crystal structure of 5-[4-(diethylamino)benzylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647437/ https://www.ncbi.nlm.nih.gov/pubmed/26594416 http://dx.doi.org/10.1107/S2056989015017673 |
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