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Crystal structure of dimethyl 5-(4-ethyl­phen­yl)-4-[(4-ethyl­phen­yl)ethyn­yl]-6,11-diphenyl-1,3,6,11-tetra­hydro-2H-6,11-ep­oxy­cyclo­penta­[a]anthracene-2,2-di­carboxyl­ate

In the central fused ring system of the title compound, C(51)H(42)O(5), all of the five-membered rings are in an envelope conformation. The dihedral angle between the two benzene rings in the fused ring system is 74.66 (7)°. In the crystal, mol­ecules are linked by C—H⋯π inter­actions, forming a lay...

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Autores principales: Meng, Xiang-Zhen, Cheng, Dong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7274007/
https://www.ncbi.nlm.nih.gov/pubmed/32523771
http://dx.doi.org/10.1107/S2056989020006404
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author Meng, Xiang-Zhen
Cheng, Dong
author_facet Meng, Xiang-Zhen
Cheng, Dong
author_sort Meng, Xiang-Zhen
collection PubMed
description In the central fused ring system of the title compound, C(51)H(42)O(5), all of the five-membered rings are in an envelope conformation. The dihedral angle between the two benzene rings in the fused ring system is 74.66 (7)°. In the crystal, mol­ecules are linked by C—H⋯π inter­actions, forming a layer parallel to the ab plane. Each mol­ecule acts as a double donor as well as a double acceptor of the C—H⋯π inter­actions. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (61.4%) and C⋯H/H⋯C (25.3%) contacts.
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spelling pubmed-72740072020-06-09 Crystal structure of dimethyl 5-(4-ethyl­phen­yl)-4-[(4-ethyl­phen­yl)ethyn­yl]-6,11-diphenyl-1,3,6,11-tetra­hydro-2H-6,11-ep­oxy­cyclo­penta­[a]anthracene-2,2-di­carboxyl­ate Meng, Xiang-Zhen Cheng, Dong Acta Crystallogr E Crystallogr Commun Research Communications In the central fused ring system of the title compound, C(51)H(42)O(5), all of the five-membered rings are in an envelope conformation. The dihedral angle between the two benzene rings in the fused ring system is 74.66 (7)°. In the crystal, mol­ecules are linked by C—H⋯π inter­actions, forming a layer parallel to the ab plane. Each mol­ecule acts as a double donor as well as a double acceptor of the C—H⋯π inter­actions. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (61.4%) and C⋯H/H⋯C (25.3%) contacts. International Union of Crystallography 2020-05-29 /pmc/articles/PMC7274007/ /pubmed/32523771 http://dx.doi.org/10.1107/S2056989020006404 Text en © Meng and Cheng 2020 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Meng, Xiang-Zhen
Cheng, Dong
Crystal structure of dimethyl 5-(4-ethyl­phen­yl)-4-[(4-ethyl­phen­yl)ethyn­yl]-6,11-diphenyl-1,3,6,11-tetra­hydro-2H-6,11-ep­oxy­cyclo­penta­[a]anthracene-2,2-di­carboxyl­ate
title Crystal structure of dimethyl 5-(4-ethyl­phen­yl)-4-[(4-ethyl­phen­yl)ethyn­yl]-6,11-diphenyl-1,3,6,11-tetra­hydro-2H-6,11-ep­oxy­cyclo­penta­[a]anthracene-2,2-di­carboxyl­ate
title_full Crystal structure of dimethyl 5-(4-ethyl­phen­yl)-4-[(4-ethyl­phen­yl)ethyn­yl]-6,11-diphenyl-1,3,6,11-tetra­hydro-2H-6,11-ep­oxy­cyclo­penta­[a]anthracene-2,2-di­carboxyl­ate
title_fullStr Crystal structure of dimethyl 5-(4-ethyl­phen­yl)-4-[(4-ethyl­phen­yl)ethyn­yl]-6,11-diphenyl-1,3,6,11-tetra­hydro-2H-6,11-ep­oxy­cyclo­penta­[a]anthracene-2,2-di­carboxyl­ate
title_full_unstemmed Crystal structure of dimethyl 5-(4-ethyl­phen­yl)-4-[(4-ethyl­phen­yl)ethyn­yl]-6,11-diphenyl-1,3,6,11-tetra­hydro-2H-6,11-ep­oxy­cyclo­penta­[a]anthracene-2,2-di­carboxyl­ate
title_short Crystal structure of dimethyl 5-(4-ethyl­phen­yl)-4-[(4-ethyl­phen­yl)ethyn­yl]-6,11-diphenyl-1,3,6,11-tetra­hydro-2H-6,11-ep­oxy­cyclo­penta­[a]anthracene-2,2-di­carboxyl­ate
title_sort crystal structure of dimethyl 5-(4-ethyl­phen­yl)-4-[(4-ethyl­phen­yl)ethyn­yl]-6,11-diphenyl-1,3,6,11-tetra­hydro-2h-6,11-ep­oxy­cyclo­penta­[a]anthracene-2,2-di­carboxyl­ate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7274007/
https://www.ncbi.nlm.nih.gov/pubmed/32523771
http://dx.doi.org/10.1107/S2056989020006404
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