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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) =...

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Autores principales: Bratko, Ielyzaveta, Ladeira, Sonia, Saffon, Nathalie, Teuma, Emmanuelle, Gómez, Montserrat
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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