Crystal structure of a four-layered [3.3](3,5)pyridino­phane

The title compound, C(40)H(46)N(2) {systematic name: 12,30-di­aza­hepta­cyclo[21.13.1.1(5,19).1(6,18).1(10,14).1(24,36).1(28,32)]do­tetra­conta-1(37),5(40),6(41),10(42),11,13,18,23,28,30,32(39),36(38)-dodeca­ene}, has syn–anti–syn geometry wherein the two outer [3.3]meta­cyclo­phane (MCP) moieties h...

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Autores principales: Shibahara, Masahiko, Watanabe, Motonori, Matsumoto, Taisuke, Goto, Kenta, Shinmyozu, Teruo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257295/
https://www.ncbi.nlm.nih.gov/pubmed/25484771
http://dx.doi.org/10.1107/S1600536814023691
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author Shibahara, Masahiko
Watanabe, Motonori
Matsumoto, Taisuke
Goto, Kenta
Shinmyozu, Teruo
author_facet Shibahara, Masahiko
Watanabe, Motonori
Matsumoto, Taisuke
Goto, Kenta
Shinmyozu, Teruo
author_sort Shibahara, Masahiko
collection PubMed
description The title compound, C(40)H(46)N(2) {systematic name: 12,30-di­aza­hepta­cyclo[21.13.1.1(5,19).1(6,18).1(10,14).1(24,36).1(28,32)]do­tetra­conta-1(37),5(40),6(41),10(42),11,13,18,23,28,30,32(39),36(38)-dodeca­ene}, has syn–anti–syn geometry wherein the two outer [3.3]meta­cyclo­phane (MCP) moieties have a syn geometry, and contain the facing benzene and pyridine rings at dihedral angles of 26.26 (10) and 26.46 (10)°, respectively. The rings of the central [3.3]MCP unit are not parallel, but orientated at a slight angle of 2.66 (9)°. Three bridging methyl­ene groups are disordered over two sets of sites in a 0.60:0.40 ratio. In the crystal, the mol­ecules are linked by C—H⋯N inter­actions and inter­molecular C—H⋯π short contacts, generating a three-dimensional network.
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spelling pubmed-42572952014-12-05 Crystal structure of a four-layered [3.3](3,5)pyridino­phane Shibahara, Masahiko Watanabe, Motonori Matsumoto, Taisuke Goto, Kenta Shinmyozu, Teruo Acta Crystallogr Sect E Struct Rep Online Research Communications The title compound, C(40)H(46)N(2) {systematic name: 12,30-di­aza­hepta­cyclo[21.13.1.1(5,19).1(6,18).1(10,14).1(24,36).1(28,32)]do­tetra­conta-1(37),5(40),6(41),10(42),11,13,18,23,28,30,32(39),36(38)-dodeca­ene}, has syn–anti–syn geometry wherein the two outer [3.3]meta­cyclo­phane (MCP) moieties have a syn geometry, and contain the facing benzene and pyridine rings at dihedral angles of 26.26 (10) and 26.46 (10)°, respectively. The rings of the central [3.3]MCP unit are not parallel, but orientated at a slight angle of 2.66 (9)°. Three bridging methyl­ene groups are disordered over two sets of sites in a 0.60:0.40 ratio. In the crystal, the mol­ecules are linked by C—H⋯N inter­actions and inter­molecular C—H⋯π short contacts, generating a three-dimensional network. International Union of Crystallography 2014-10-31 /pmc/articles/PMC4257295/ /pubmed/25484771 http://dx.doi.org/10.1107/S1600536814023691 Text en © Shibahara et al. 2014 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 Research Communications
Shibahara, Masahiko
Watanabe, Motonori
Matsumoto, Taisuke
Goto, Kenta
Shinmyozu, Teruo
Crystal structure of a four-layered [3.3](3,5)pyridino­phane
title Crystal structure of a four-layered [3.3](3,5)pyridino­phane
title_full Crystal structure of a four-layered [3.3](3,5)pyridino­phane
title_fullStr Crystal structure of a four-layered [3.3](3,5)pyridino­phane
title_full_unstemmed Crystal structure of a four-layered [3.3](3,5)pyridino­phane
title_short Crystal structure of a four-layered [3.3](3,5)pyridino­phane
title_sort crystal structure of a four-layered [3.3](3,5)pyridino­phane
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257295/
https://www.ncbi.nlm.nih.gov/pubmed/25484771
http://dx.doi.org/10.1107/S1600536814023691
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AT matsumototaisuke crystalstructureofafourlayered3335pyridinophane
AT gotokenta crystalstructureofafourlayered3335pyridinophane
AT shinmyozuteruo crystalstructureofafourlayered3335pyridinophane

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