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Ethyl (E)-3-(anthracen-9-yl)prop-2-enoate

In the asymmetric unit of the title compound, C(19)H(16)O(2), there are two symmetry-independent mol­ecules (A and B) that differ in the conformation of the ester eth­oxy group. In the crystal, the mol­ecules form inversion dimers via pairs of C—H⋯O inter­actions. Within the dimers, the anthracenyl...

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Autores principales: Bugenhagen, Bernhard, Al Jasem, Yosef, Hindawi, Bassam al, Al Rawashdeh, Nathir, Thiemann, Thies
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588290/
https://www.ncbi.nlm.nih.gov/pubmed/23476390
http://dx.doi.org/10.1107/S1600536812051033
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author Bugenhagen, Bernhard
Al Jasem, Yosef
Hindawi, Bassam al
Al Rawashdeh, Nathir
Thiemann, Thies
author_facet Bugenhagen, Bernhard
Al Jasem, Yosef
Hindawi, Bassam al
Al Rawashdeh, Nathir
Thiemann, Thies
author_sort Bugenhagen, Bernhard
collection PubMed
description In the asymmetric unit of the title compound, C(19)H(16)O(2), there are two symmetry-independent mol­ecules (A and B) that differ in the conformation of the ester eth­oxy group. In the crystal, the mol­ecules form inversion dimers via pairs of C—H⋯O inter­actions. Within the dimers, the anthracenyl units have inter­planar distances of 0.528 (2) and 0.479 (2) Å for dimers of mol­ecules A and B, respectively. Another short C—H⋯O contact between symmetry-independent dimers links them into columns parallel to [10-1]. These columns are arranged into (111) layers and there are π–π stacking inter­actions [centroid–centroid distances = 3.6446 (15) and 3.6531 (15) Å] between the anthracenyl units from the neighbouring columns. In addition, there are C—H⋯π inter­actions between the anthracenyl unit of dimers A and dimers B within the same column.
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spelling pubmed-35882902013-03-08 Ethyl (E)-3-(anthracen-9-yl)prop-2-enoate Bugenhagen, Bernhard Al Jasem, Yosef Hindawi, Bassam al Al Rawashdeh, Nathir Thiemann, Thies Acta Crystallogr Sect E Struct Rep Online Organic Papers In the asymmetric unit of the title compound, C(19)H(16)O(2), there are two symmetry-independent mol­ecules (A and B) that differ in the conformation of the ester eth­oxy group. In the crystal, the mol­ecules form inversion dimers via pairs of C—H⋯O inter­actions. Within the dimers, the anthracenyl units have inter­planar distances of 0.528 (2) and 0.479 (2) Å for dimers of mol­ecules A and B, respectively. Another short C—H⋯O contact between symmetry-independent dimers links them into columns parallel to [10-1]. These columns are arranged into (111) layers and there are π–π stacking inter­actions [centroid–centroid distances = 3.6446 (15) and 3.6531 (15) Å] between the anthracenyl units from the neighbouring columns. In addition, there are C—H⋯π inter­actions between the anthracenyl unit of dimers A and dimers B within the same column. International Union of Crystallography 2012-12-22 /pmc/articles/PMC3588290/ /pubmed/23476390 http://dx.doi.org/10.1107/S1600536812051033 Text en © Bugenhagen 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
Bugenhagen, Bernhard
Al Jasem, Yosef
Hindawi, Bassam al
Al Rawashdeh, Nathir
Thiemann, Thies
Ethyl (E)-3-(anthracen-9-yl)prop-2-enoate
title Ethyl (E)-3-(anthracen-9-yl)prop-2-enoate
title_full Ethyl (E)-3-(anthracen-9-yl)prop-2-enoate
title_fullStr Ethyl (E)-3-(anthracen-9-yl)prop-2-enoate
title_full_unstemmed Ethyl (E)-3-(anthracen-9-yl)prop-2-enoate
title_short Ethyl (E)-3-(anthracen-9-yl)prop-2-enoate
title_sort ethyl (e)-3-(anthracen-9-yl)prop-2-enoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588290/
https://www.ncbi.nlm.nih.gov/pubmed/23476390
http://dx.doi.org/10.1107/S1600536812051033
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