(3(1) E,3(2) Z,7(1) E,7(2) Z)-4,8-Bis(3,5-di­chloro­phen­yl)-1(4),3(3),5(3),7(3)-tetra­propyl-1(1) H,3(2) H,5(1) H,7(2) H-1,5(2,5),3,7(5,2)-tetra­pyrrola-2,6(2,5)-di­thiophena­cyclo­octa­phane

Purple crystals of the title compound, C(50)H(44)Cl(4)N(4)S(2) were obtained from the reaction of 2,5-bis­(4-propyl-1H-pyrrol-2-yl)thio­phene and 3,5-di­chloro­benzaldehyde in the presence of tri­fluoro­acetic acid for 3 h and subsequent addition of p-chloranil. The macrocycle in the title compound...

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Detalles Bibliográficos
Autores principales: Ishimaru, Yoshihiro, Ikeda, Ryo, Fujihara, Takashi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561226/
https://www.ncbi.nlm.nih.gov/pubmed/37818474
http://dx.doi.org/10.1107/S2414314623007666
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author Ishimaru, Yoshihiro
Ikeda, Ryo
Fujihara, Takashi
author_facet Ishimaru, Yoshihiro
Ikeda, Ryo
Fujihara, Takashi
author_sort Ishimaru, Yoshihiro
collection PubMed
description Purple crystals of the title compound, C(50)H(44)Cl(4)N(4)S(2) were obtained from the reaction of 2,5-bis­(4-propyl-1H-pyrrol-2-yl)thio­phene and 3,5-di­chloro­benzaldehyde in the presence of tri­fluoro­acetic acid for 3 h and subsequent addition of p-chloranil. The macrocycle in the title compound can be described as a highly planar structure wthe the average deviation of the 32 macrocyclic atoms from the least-squares plane being 0.0416 Å. Its mol­ecular conformation is stabilized by two intra­molecular N—H⋯N bonds and a three-dimensional network is formed by C—H⋯π inter­actions. [Image: see text]
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spelling pubmed-105612262023-10-10 (3(1) E,3(2) Z,7(1) E,7(2) Z)-4,8-Bis(3,5-di­chloro­phen­yl)-1(4),3(3),5(3),7(3)-tetra­propyl-1(1) H,3(2) H,5(1) H,7(2) H-1,5(2,5),3,7(5,2)-tetra­pyrrola-2,6(2,5)-di­thiophena­cyclo­octa­phane Ishimaru, Yoshihiro Ikeda, Ryo Fujihara, Takashi IUCrdata Data Reports Purple crystals of the title compound, C(50)H(44)Cl(4)N(4)S(2) were obtained from the reaction of 2,5-bis­(4-propyl-1H-pyrrol-2-yl)thio­phene and 3,5-di­chloro­benzaldehyde in the presence of tri­fluoro­acetic acid for 3 h and subsequent addition of p-chloranil. The macrocycle in the title compound can be described as a highly planar structure wthe the average deviation of the 32 macrocyclic atoms from the least-squares plane being 0.0416 Å. Its mol­ecular conformation is stabilized by two intra­molecular N—H⋯N bonds and a three-dimensional network is formed by C—H⋯π inter­actions. [Image: see text] International Union of Crystallography 2023-09-08 /pmc/articles/PMC10561226/ /pubmed/37818474 http://dx.doi.org/10.1107/S2414314623007666 Text en © Yoshihiro et al. 2023 https://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.
spellingShingle Data Reports
Ishimaru, Yoshihiro
Ikeda, Ryo
Fujihara, Takashi
(3(1) E,3(2) Z,7(1) E,7(2) Z)-4,8-Bis(3,5-di­chloro­phen­yl)-1(4),3(3),5(3),7(3)-tetra­propyl-1(1) H,3(2) H,5(1) H,7(2) H-1,5(2,5),3,7(5,2)-tetra­pyrrola-2,6(2,5)-di­thiophena­cyclo­octa­phane
title (3(1) E,3(2) Z,7(1) E,7(2) Z)-4,8-Bis(3,5-di­chloro­phen­yl)-1(4),3(3),5(3),7(3)-tetra­propyl-1(1) H,3(2) H,5(1) H,7(2) H-1,5(2,5),3,7(5,2)-tetra­pyrrola-2,6(2,5)-di­thiophena­cyclo­octa­phane
title_full (3(1) E,3(2) Z,7(1) E,7(2) Z)-4,8-Bis(3,5-di­chloro­phen­yl)-1(4),3(3),5(3),7(3)-tetra­propyl-1(1) H,3(2) H,5(1) H,7(2) H-1,5(2,5),3,7(5,2)-tetra­pyrrola-2,6(2,5)-di­thiophena­cyclo­octa­phane
title_fullStr (3(1) E,3(2) Z,7(1) E,7(2) Z)-4,8-Bis(3,5-di­chloro­phen­yl)-1(4),3(3),5(3),7(3)-tetra­propyl-1(1) H,3(2) H,5(1) H,7(2) H-1,5(2,5),3,7(5,2)-tetra­pyrrola-2,6(2,5)-di­thiophena­cyclo­octa­phane
title_full_unstemmed (3(1) E,3(2) Z,7(1) E,7(2) Z)-4,8-Bis(3,5-di­chloro­phen­yl)-1(4),3(3),5(3),7(3)-tetra­propyl-1(1) H,3(2) H,5(1) H,7(2) H-1,5(2,5),3,7(5,2)-tetra­pyrrola-2,6(2,5)-di­thiophena­cyclo­octa­phane
title_short (3(1) E,3(2) Z,7(1) E,7(2) Z)-4,8-Bis(3,5-di­chloro­phen­yl)-1(4),3(3),5(3),7(3)-tetra­propyl-1(1) H,3(2) H,5(1) H,7(2) H-1,5(2,5),3,7(5,2)-tetra­pyrrola-2,6(2,5)-di­thiophena­cyclo­octa­phane
title_sort (3(1) e,3(2) z,7(1) e,7(2) z)-4,8-bis(3,5-di­chloro­phen­yl)-1(4),3(3),5(3),7(3)-tetra­propyl-1(1) h,3(2) h,5(1) h,7(2) h-1,5(2,5),3,7(5,2)-tetra­pyrrola-2,6(2,5)-di­thiophena­cyclo­octa­phane
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561226/
https://www.ncbi.nlm.nih.gov/pubmed/37818474
http://dx.doi.org/10.1107/S2414314623007666
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