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Ethyl 4-(2-eth­oxy-2-oxoeth­yl)-3-oxo-4,13-di­aza­penta­cyclo­[11.8.0.0(2,11).0(5,10).0(14,19)]henicosa-1,5(10),6,8,11,14(19),15,17,20-nona­ene-12-carboxyl­ate

In the title compound, C(26)H(22)N(2)O(5), the system consisting of five fused rings, being essentially planar with an r.m.s. deviation from the least-squares plane of 0.049 (3) Å, makes a dihedral angle of 58.72 (12)° with the plane of the ethyl carboxyl­ate group immediately attached to it, and a...

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Detalles Bibliográficos
Autores principales: Meng, Qing-Hua, Wu, Ya-Nan, Jiang, Ke, Liu, Yun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770398/
https://www.ncbi.nlm.nih.gov/pubmed/24046683
http://dx.doi.org/10.1107/S1600536813015833
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author Meng, Qing-Hua
Wu, Ya-Nan
Jiang, Ke
Liu, Yun
author_facet Meng, Qing-Hua
Wu, Ya-Nan
Jiang, Ke
Liu, Yun
author_sort Meng, Qing-Hua
collection PubMed
description In the title compound, C(26)H(22)N(2)O(5), the system consisting of five fused rings, being essentially planar with an r.m.s. deviation from the least-squares plane of 0.049 (3) Å, makes a dihedral angle of 58.72 (12)° with the plane of the ethyl carboxyl­ate group immediately attached to it, and a dihedral angle of 89.48 (14)° with the plane of the ethyl carboxyl­ate group attached via the –CH(2)– bridge. Bond lengths indicate π-delocalization over the whole penta­cyclic system. The mol­ecular conformation is stabilized by a weak intra­molecular C—H⋯O hydrogen bond. In the crystal, mol­ecules form stacks along the b-axis direction, neighboring mol­ecules within each stack being related by inversion and the shortest distance between the centroids of the pyridine rings within the stack being 3.667 (2) Å.
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spelling pubmed-37703982013-09-17 Ethyl 4-(2-eth­oxy-2-oxoeth­yl)-3-oxo-4,13-di­aza­penta­cyclo­[11.8.0.0(2,11).0(5,10).0(14,19)]henicosa-1,5(10),6,8,11,14(19),15,17,20-nona­ene-12-carboxyl­ate Meng, Qing-Hua Wu, Ya-Nan Jiang, Ke Liu, Yun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(26)H(22)N(2)O(5), the system consisting of five fused rings, being essentially planar with an r.m.s. deviation from the least-squares plane of 0.049 (3) Å, makes a dihedral angle of 58.72 (12)° with the plane of the ethyl carboxyl­ate group immediately attached to it, and a dihedral angle of 89.48 (14)° with the plane of the ethyl carboxyl­ate group attached via the –CH(2)– bridge. Bond lengths indicate π-delocalization over the whole penta­cyclic system. The mol­ecular conformation is stabilized by a weak intra­molecular C—H⋯O hydrogen bond. In the crystal, mol­ecules form stacks along the b-axis direction, neighboring mol­ecules within each stack being related by inversion and the shortest distance between the centroids of the pyridine rings within the stack being 3.667 (2) Å. International Union of Crystallography 2013-06-22 /pmc/articles/PMC3770398/ /pubmed/24046683 http://dx.doi.org/10.1107/S1600536813015833 Text en © Meng et al. 2013 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
Meng, Qing-Hua
Wu, Ya-Nan
Jiang, Ke
Liu, Yun
Ethyl 4-(2-eth­oxy-2-oxoeth­yl)-3-oxo-4,13-di­aza­penta­cyclo­[11.8.0.0(2,11).0(5,10).0(14,19)]henicosa-1,5(10),6,8,11,14(19),15,17,20-nona­ene-12-carboxyl­ate
title Ethyl 4-(2-eth­oxy-2-oxoeth­yl)-3-oxo-4,13-di­aza­penta­cyclo­[11.8.0.0(2,11).0(5,10).0(14,19)]henicosa-1,5(10),6,8,11,14(19),15,17,20-nona­ene-12-carboxyl­ate
title_full Ethyl 4-(2-eth­oxy-2-oxoeth­yl)-3-oxo-4,13-di­aza­penta­cyclo­[11.8.0.0(2,11).0(5,10).0(14,19)]henicosa-1,5(10),6,8,11,14(19),15,17,20-nona­ene-12-carboxyl­ate
title_fullStr Ethyl 4-(2-eth­oxy-2-oxoeth­yl)-3-oxo-4,13-di­aza­penta­cyclo­[11.8.0.0(2,11).0(5,10).0(14,19)]henicosa-1,5(10),6,8,11,14(19),15,17,20-nona­ene-12-carboxyl­ate
title_full_unstemmed Ethyl 4-(2-eth­oxy-2-oxoeth­yl)-3-oxo-4,13-di­aza­penta­cyclo­[11.8.0.0(2,11).0(5,10).0(14,19)]henicosa-1,5(10),6,8,11,14(19),15,17,20-nona­ene-12-carboxyl­ate
title_short Ethyl 4-(2-eth­oxy-2-oxoeth­yl)-3-oxo-4,13-di­aza­penta­cyclo­[11.8.0.0(2,11).0(5,10).0(14,19)]henicosa-1,5(10),6,8,11,14(19),15,17,20-nona­ene-12-carboxyl­ate
title_sort ethyl 4-(2-eth­oxy-2-oxoeth­yl)-3-oxo-4,13-di­aza­penta­cyclo­[11.8.0.0(2,11).0(5,10).0(14,19)]henicosa-1,5(10),6,8,11,14(19),15,17,20-nona­ene-12-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770398/
https://www.ncbi.nlm.nih.gov/pubmed/24046683
http://dx.doi.org/10.1107/S1600536813015833
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