Crystal structure of diethyl (E)-2-[(benzo­furan-2-yl)methyl­idene]succinate

The title compound, C(17)H(18)O(5), was synthesized by a base-free catalytic Wittig reaction. The mol­ecule consists of a diethyl itaconate unit, which is connected via the C=C double bond to a benzo­furan moiety. The benzo­furan ring system (r.m.s. deviation = 0.007 Å) forms dihedral angles of 79.5...

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Detalles Bibliográficos
Autores principales: Schirmer, Marie-Luis, Spannenberg, Anke, Werner, Thomas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645082/
https://www.ncbi.nlm.nih.gov/pubmed/26594572
http://dx.doi.org/10.1107/S2056989015019313
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author Schirmer, Marie-Luis
Spannenberg, Anke
Werner, Thomas
author_facet Schirmer, Marie-Luis
Spannenberg, Anke
Werner, Thomas
author_sort Schirmer, Marie-Luis
collection PubMed
description The title compound, C(17)H(18)O(5), was synthesized by a base-free catalytic Wittig reaction. The mol­ecule consists of a diethyl itaconate unit, which is connected via the C=C double bond to a benzo­furan moiety. The benzo­furan ring system (r.m.s. deviation = 0.007 Å) forms dihedral angles of 79.58 (4) and 12.12 (10)° with the mean planes through the cis and trans eth­oxy­carbonyl groups, respectively. An intra­molecular C—H⋯O hydrogen bond involving the O atom of the benzo­furan moiety is observed. In the crystal, mol­ecules are linked into ribbons running parallel to the b axis by C—H⋯O hydrogen bonds.
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spelling pubmed-46450822015-11-20 Crystal structure of diethyl (E)-2-[(benzo­furan-2-yl)methyl­idene]succinate Schirmer, Marie-Luis Spannenberg, Anke Werner, Thomas Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(17)H(18)O(5), was synthesized by a base-free catalytic Wittig reaction. The mol­ecule consists of a diethyl itaconate unit, which is connected via the C=C double bond to a benzo­furan moiety. The benzo­furan ring system (r.m.s. deviation = 0.007 Å) forms dihedral angles of 79.58 (4) and 12.12 (10)° with the mean planes through the cis and trans eth­oxy­carbonyl groups, respectively. An intra­molecular C—H⋯O hydrogen bond involving the O atom of the benzo­furan moiety is observed. In the crystal, mol­ecules are linked into ribbons running parallel to the b axis by C—H⋯O hydrogen bonds. International Union of Crystallography 2015-10-24 /pmc/articles/PMC4645082/ /pubmed/26594572 http://dx.doi.org/10.1107/S2056989015019313 Text en © Schirmer 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 Data Reports
Schirmer, Marie-Luis
Spannenberg, Anke
Werner, Thomas
Crystal structure of diethyl (E)-2-[(benzo­furan-2-yl)methyl­idene]succinate
title Crystal structure of diethyl (E)-2-[(benzo­furan-2-yl)methyl­idene]succinate
title_full Crystal structure of diethyl (E)-2-[(benzo­furan-2-yl)methyl­idene]succinate
title_fullStr Crystal structure of diethyl (E)-2-[(benzo­furan-2-yl)methyl­idene]succinate
title_full_unstemmed Crystal structure of diethyl (E)-2-[(benzo­furan-2-yl)methyl­idene]succinate
title_short Crystal structure of diethyl (E)-2-[(benzo­furan-2-yl)methyl­idene]succinate
title_sort crystal structure of diethyl (e)-2-[(benzo­furan-2-yl)methyl­idene]succinate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645082/
https://www.ncbi.nlm.nih.gov/pubmed/26594572
http://dx.doi.org/10.1107/S2056989015019313
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