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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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. |
format | Online Article Text |
id | pubmed-3770398 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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