Ethyl (2E)-2-(2H-1,3-benzodioxol-5-yl­methyl­idene)-4-chloro-3-oxobutano­ate

In the title compound, C(14)H(13)ClO(5), the five-membered ring is in an envelope conformation with the methyl­ene C-atom being the flap. The conformation about the C=C double bond [1.341 (2) Å] is E. The chloro­propan-2-one residue is approximately orthogonal to the remaining mol­ecule [dihedral an...

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Autores principales: Zukerman-Schpector, Julio, Abd Salim, Siti Nadiah, Moran, Paulo J. S., de Paula, Bruno R. S., Rodrigues, J. Augusto R., Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089165/
https://www.ncbi.nlm.nih.gov/pubmed/21754371
http://dx.doi.org/10.1107/S1600536811011780
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author Zukerman-Schpector, Julio
Abd Salim, Siti Nadiah
Moran, Paulo J. S.
de Paula, Bruno R. S.
Rodrigues, J. Augusto R.
Tiekink, Edward R. T.
author_facet Zukerman-Schpector, Julio
Abd Salim, Siti Nadiah
Moran, Paulo J. S.
de Paula, Bruno R. S.
Rodrigues, J. Augusto R.
Tiekink, Edward R. T.
author_sort Zukerman-Schpector, Julio
collection PubMed
description In the title compound, C(14)H(13)ClO(5), the five-membered ring is in an envelope conformation with the methyl­ene C-atom being the flap. The conformation about the C=C double bond [1.341 (2) Å] is E. The chloro­propan-2-one residue is approximately orthogonal to the remaining mol­ecule [dihedral angle = 88.03 (6)°]. In the crystal, the mol­ecules associate via C—H⋯O inter­actions, involving both carbonyl-O atoms, giving rise to an undulating two-dimensional array in the ac plane.
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spelling pubmed-30891652011-07-13 Ethyl (2E)-2-(2H-1,3-benzodioxol-5-yl­methyl­idene)-4-chloro-3-oxobutano­ate Zukerman-Schpector, Julio Abd Salim, Siti Nadiah Moran, Paulo J. S. de Paula, Bruno R. S. Rodrigues, J. Augusto R. Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(14)H(13)ClO(5), the five-membered ring is in an envelope conformation with the methyl­ene C-atom being the flap. The conformation about the C=C double bond [1.341 (2) Å] is E. The chloro­propan-2-one residue is approximately orthogonal to the remaining mol­ecule [dihedral angle = 88.03 (6)°]. In the crystal, the mol­ecules associate via C—H⋯O inter­actions, involving both carbonyl-O atoms, giving rise to an undulating two-dimensional array in the ac plane. International Union of Crystallography 2011-04-07 /pmc/articles/PMC3089165/ /pubmed/21754371 http://dx.doi.org/10.1107/S1600536811011780 Text en © Zukerman-Schpector et al. 2011 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
Abd Salim, Siti Nadiah
Moran, Paulo J. S.
de Paula, Bruno R. S.
Rodrigues, J. Augusto R.
Tiekink, Edward R. T.
Ethyl (2E)-2-(2H-1,3-benzodioxol-5-yl­methyl­idene)-4-chloro-3-oxobutano­ate
title Ethyl (2E)-2-(2H-1,3-benzodioxol-5-yl­methyl­idene)-4-chloro-3-oxobutano­ate
title_full Ethyl (2E)-2-(2H-1,3-benzodioxol-5-yl­methyl­idene)-4-chloro-3-oxobutano­ate
title_fullStr Ethyl (2E)-2-(2H-1,3-benzodioxol-5-yl­methyl­idene)-4-chloro-3-oxobutano­ate
title_full_unstemmed Ethyl (2E)-2-(2H-1,3-benzodioxol-5-yl­methyl­idene)-4-chloro-3-oxobutano­ate
title_short Ethyl (2E)-2-(2H-1,3-benzodioxol-5-yl­methyl­idene)-4-chloro-3-oxobutano­ate
title_sort ethyl (2e)-2-(2h-1,3-benzodioxol-5-yl­methyl­idene)-4-chloro-3-oxobutano­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089165/
https://www.ncbi.nlm.nih.gov/pubmed/21754371
http://dx.doi.org/10.1107/S1600536811011780
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