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Ethyl (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)butanoate
In the title compound, C(16)H(20)O(6), the conformation about the C=C double bond [1.344 (2) Å] is Z. With respect to this bond, the ketone is almost coplanar [C—C—C—O torsion angle = −179.60 (10)°] and the ester is almost perpendicular [C—C—C—O = 78.42 (13)°]. The methoxy substituents of the centr...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884456/ https://www.ncbi.nlm.nih.gov/pubmed/24427096 http://dx.doi.org/10.1107/S1600536813023374 |
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author | Zukerman-Schpector, Julio Hino, Camila Lury Moran, Paulo J. S. de Paula, Bruno R. S. Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | Zukerman-Schpector, Julio Hino, Camila Lury Moran, Paulo J. S. de Paula, Bruno R. S. Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | Zukerman-Schpector, Julio |
collection | PubMed |
description | In the title compound, C(16)H(20)O(6), the conformation about the C=C double bond [1.344 (2) Å] is Z. With respect to this bond, the ketone is almost coplanar [C—C—C—O torsion angle = −179.60 (10)°] and the ester is almost perpendicular [C—C—C—O = 78.42 (13)°]. The methoxy substituents of the central benzene ring are either almost coplanar [C—C—O—C = 3.54 (15) and 177.70 (9)°] or perpendicular [C—C—O—C = 80.08 12)° for the central substituent]. In the crystal, the three-dimensional architecture features C—H⋯O and π–π [inter-centroid distance = 3.6283 (6) Å] interactions. |
format | Online Article Text |
id | pubmed-3884456 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-38844562014-01-14 Ethyl (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)butanoate Zukerman-Schpector, Julio Hino, Camila Lury Moran, Paulo J. S. de Paula, Bruno R. S. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(20)O(6), the conformation about the C=C double bond [1.344 (2) Å] is Z. With respect to this bond, the ketone is almost coplanar [C—C—C—O torsion angle = −179.60 (10)°] and the ester is almost perpendicular [C—C—C—O = 78.42 (13)°]. The methoxy substituents of the central benzene ring are either almost coplanar [C—C—O—C = 3.54 (15) and 177.70 (9)°] or perpendicular [C—C—O—C = 80.08 12)° for the central substituent]. In the crystal, the three-dimensional architecture features C—H⋯O and π–π [inter-centroid distance = 3.6283 (6) Å] interactions. International Union of Crystallography 2013-08-23 /pmc/articles/PMC3884456/ /pubmed/24427096 http://dx.doi.org/10.1107/S1600536813023374 Text en © Zukerman-Schpector et al. 2013 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 Zukerman-Schpector, Julio Hino, Camila Lury Moran, Paulo J. S. de Paula, Bruno R. S. Ng, Seik Weng Tiekink, Edward R. T. Ethyl (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)butanoate |
title | Ethyl (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)butanoate |
title_full | Ethyl (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)butanoate |
title_fullStr | Ethyl (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)butanoate |
title_full_unstemmed | Ethyl (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)butanoate |
title_short | Ethyl (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)butanoate |
title_sort | ethyl (2z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)butanoate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884456/ https://www.ncbi.nlm.nih.gov/pubmed/24427096 http://dx.doi.org/10.1107/S1600536813023374 |
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