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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,...

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Autores principales: Mertsalov, Dmitriy F., Surina, Nataliya S., Sorokina, Elena A., Çelikesir, Sevim Türktekin, Akkurt, Mehmet, Grigoriev, Mikhail S., Mlowe, Sixberth
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
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.
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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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