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(1S,8R,15S,19R)-17-Benzyl-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2(7),3,5,9(14),10,12-hexaene chloroform monosolvate
In the title compound, C(25)H(23)N·CHCl(3), the dihydroanthracene unit is bent with a dihedral angle between the benzene rings of 57.82 (8)°. The N atom of the pyrrolidine heterocycle, which has an envelope conformation with the N atom as the flap, exhibits a pronounced pyramidalization [Σ(C—N—C) =...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470235/ https://www.ncbi.nlm.nih.gov/pubmed/23125679 http://dx.doi.org/10.1107/S1600536812037749 |
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author | Bratko, Ielyzaveta Ladeira, Sonia Saffon, Nathalie Teuma, Emmanuelle Gómez, Montserrat |
author_facet | Bratko, Ielyzaveta Ladeira, Sonia Saffon, Nathalie Teuma, Emmanuelle Gómez, Montserrat |
author_sort | Bratko, Ielyzaveta |
collection | PubMed |
description | In the title compound, C(25)H(23)N·CHCl(3), the dihydroanthracene unit is bent with a dihedral angle between the benzene rings of 57.82 (8)°. The N atom of the pyrrolidine heterocycle, which has an envelope conformation with the N atom as the flap, exhibits a pronounced pyramidalization [Σ(C—N—C) = 328.07°], indicating an accentuated N-donor character. In the crystal, this behaviour is evident by the C—H⋯N hydrogen bond involving a solvent molecule and the N atom. The absolute configuration at the C-atom fused positions of the pyrrolidine group were crystallographically confirmed to be S and R. |
format | Online Article Text |
id | pubmed-3470235 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34702352012-11-02 (1S,8R,15S,19R)-17-Benzyl-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2(7),3,5,9(14),10,12-hexaene chloroform monosolvate Bratko, Ielyzaveta Ladeira, Sonia Saffon, Nathalie Teuma, Emmanuelle Gómez, Montserrat Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(25)H(23)N·CHCl(3), the dihydroanthracene unit is bent with a dihedral angle between the benzene rings of 57.82 (8)°. The N atom of the pyrrolidine heterocycle, which has an envelope conformation with the N atom as the flap, exhibits a pronounced pyramidalization [Σ(C—N—C) = 328.07°], indicating an accentuated N-donor character. In the crystal, this behaviour is evident by the C—H⋯N hydrogen bond involving a solvent molecule and the N atom. The absolute configuration at the C-atom fused positions of the pyrrolidine group were crystallographically confirmed to be S and R. International Union of Crystallography 2012-09-08 /pmc/articles/PMC3470235/ /pubmed/23125679 http://dx.doi.org/10.1107/S1600536812037749 Text en © Bratko et al. 2012 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 Bratko, Ielyzaveta Ladeira, Sonia Saffon, Nathalie Teuma, Emmanuelle Gómez, Montserrat (1S,8R,15S,19R)-17-Benzyl-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2(7),3,5,9(14),10,12-hexaene chloroform monosolvate |
title | (1S,8R,15S,19R)-17-Benzyl-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2(7),3,5,9(14),10,12-hexaene chloroform monosolvate |
title_full | (1S,8R,15S,19R)-17-Benzyl-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2(7),3,5,9(14),10,12-hexaene chloroform monosolvate |
title_fullStr | (1S,8R,15S,19R)-17-Benzyl-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2(7),3,5,9(14),10,12-hexaene chloroform monosolvate |
title_full_unstemmed | (1S,8R,15S,19R)-17-Benzyl-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2(7),3,5,9(14),10,12-hexaene chloroform monosolvate |
title_short | (1S,8R,15S,19R)-17-Benzyl-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2(7),3,5,9(14),10,12-hexaene chloroform monosolvate |
title_sort | (1s,8r,15s,19r)-17-benzyl-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2(7),3,5,9(14),10,12-hexaene chloroform monosolvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470235/ https://www.ncbi.nlm.nih.gov/pubmed/23125679 http://dx.doi.org/10.1107/S1600536812037749 |
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