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Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-4,6-epoxy-1H-cyclopenta[c]pyridin-1-one
The molecule of the title compound, C(15)H(15)Br(2)NO(3), comprises a fused tricyclic system consisting of two five-membered rings (cyclopentane and tetrahydrofuran) and one six-membered ring (tetrahydropyridinone). Both five-membered rings of the tricyclic system have envelope conformations,...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8100279/ https://www.ncbi.nlm.nih.gov/pubmed/34026259 http://dx.doi.org/10.1107/S2056989021003273 |
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author | Mertsalov, Dmitriy F. Surina, Nataliya S. Sorokina, Elena A. Çelikesir, Sevim Türktekin Akkurt, Mehmet Grigoriev, Mikhail S. Mlowe, Sixberth |
author_facet | Mertsalov, Dmitriy F. Surina, Nataliya S. Sorokina, Elena A. Çelikesir, Sevim Türktekin Akkurt, Mehmet Grigoriev, Mikhail S. Mlowe, Sixberth |
author_sort | Mertsalov, Dmitriy F. |
collection | PubMed |
description | The molecule of the title compound, C(15)H(15)Br(2)NO(3), comprises a fused tricyclic system consisting of two five-membered rings (cyclopentane and tetrahydrofuran) and one six-membered ring (tetrahydropyridinone). Both five-membered rings of the tricyclic system have envelope conformations, and the conformation of the six-membered cycle is intermediate between chair and half-chair. In the crystal, the molecules are linked by C—H⋯O hydrogen bonds and C—H⋯π, C—Br⋯π and C⋯O interactions into double layers. The layers are connected into a three-dimensional network by van der Waals interactions. |
format | Online Article Text |
id | pubmed-8100279 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-81002792021-05-21 Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-4,6-epoxy-1H-cyclopenta[c]pyridin-1-one Mertsalov, Dmitriy F. Surina, Nataliya S. Sorokina, Elena A. Çelikesir, Sevim Türktekin Akkurt, Mehmet Grigoriev, Mikhail S. Mlowe, Sixberth Acta Crystallogr E Crystallogr Commun Research Communications The molecule of the title compound, C(15)H(15)Br(2)NO(3), comprises a fused tricyclic system consisting of two five-membered rings (cyclopentane and tetrahydrofuran) and one six-membered ring (tetrahydropyridinone). Both five-membered rings of the tricyclic system have envelope conformations, and the conformation of the six-membered cycle is intermediate between chair and half-chair. In the crystal, the molecules are linked by C—H⋯O hydrogen bonds and C—H⋯π, C—Br⋯π and C⋯O interactions into double layers. The layers are connected into a three-dimensional network by van der Waals interactions. International Union of Crystallography 2021-04-16 /pmc/articles/PMC8100279/ /pubmed/34026259 http://dx.doi.org/10.1107/S2056989021003273 Text en © Mertsalov et al. 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Mertsalov, Dmitriy F. Surina, Nataliya S. Sorokina, Elena A. Çelikesir, Sevim Türktekin Akkurt, Mehmet Grigoriev, Mikhail S. Mlowe, Sixberth Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-4,6-epoxy-1H-cyclopenta[c]pyridin-1-one |
title | Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-4,6-epoxy-1H-cyclopenta[c]pyridin-1-one |
title_full | Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-4,6-epoxy-1H-cyclopenta[c]pyridin-1-one |
title_fullStr | Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-4,6-epoxy-1H-cyclopenta[c]pyridin-1-one |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-4,6-epoxy-1H-cyclopenta[c]pyridin-1-one |
title_short | Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-4,6-epoxy-1H-cyclopenta[c]pyridin-1-one |
title_sort | crystal structure and hirshfeld surface analysis of 4,5-dibromo-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1h-4,6-epoxy-1h-cyclopenta[c]pyridin-1-one |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8100279/ https://www.ncbi.nlm.nih.gov/pubmed/34026259 http://dx.doi.org/10.1107/S2056989021003273 |
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