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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...

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Autores principales: Zukerman-Schpector, Julio, Hino, Camila Lury, Moran, Paulo J. S., de Paula, Bruno R. S., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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.
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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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