Crystal structure and Hirshfeld surface analysis of 4,5-di­bromo-6-methyl-2-phenyl-2,3,3a,4,5,6,7,7a-octa­hydro-3a,6-ep­oxy-1H-isoindol-1-one

In the title compound, C(15)H(15)Br(2)NO(2), two bridged tetra­hydro­furan rings adopt envelope conformations with the O atom as the flap. The pyrrolidine ring also adopts an envelope conformation with the spiro C atom as the flap. In the crystal, the mol­ecules are linked into dimers by pairs of C—...

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Autores principales: Mertsalov, Dmitriy F., Nadirova, Maryana A., Chervyakova, Lala V., Grigoriev, Mikhail S., Shelukho, Evgeniya R., Çelikesir, Sevim Türktekin, Akkurt, Mehmet, Mlowe, Sixberth
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8061099/
https://www.ncbi.nlm.nih.gov/pubmed/33953943
http://dx.doi.org/10.1107/S205698902100116X
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author Mertsalov, Dmitriy F.
Nadirova, Maryana A.
Chervyakova, Lala V.
Grigoriev, Mikhail S.
Shelukho, Evgeniya R.
Çelikesir, Sevim Türktekin
Akkurt, Mehmet
Mlowe, Sixberth
author_facet Mertsalov, Dmitriy F.
Nadirova, Maryana A.
Chervyakova, Lala V.
Grigoriev, Mikhail S.
Shelukho, Evgeniya R.
Çelikesir, Sevim Türktekin
Akkurt, Mehmet
Mlowe, Sixberth
author_sort Mertsalov, Dmitriy F.
collection PubMed
description In the title compound, C(15)H(15)Br(2)NO(2), two bridged tetra­hydro­furan rings adopt envelope conformations with the O atom as the flap. The pyrrolidine ring also adopts an envelope conformation with the spiro C atom as the flap. In the crystal, the mol­ecules are linked into dimers by pairs of C—H⋯O hydrogen bonds, thus generating R (2) (2)(18) rings. The crystal packing is dominated by H⋯H, Br⋯H, H⋯π and Br⋯π inter­actions. One of the Br atoms is disordered over two sites with occupation ratio of 0.833 (8):0.167 (8).
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spelling pubmed-80610992021-05-04 Crystal structure and Hirshfeld surface analysis of 4,5-di­bromo-6-methyl-2-phenyl-2,3,3a,4,5,6,7,7a-octa­hydro-3a,6-ep­oxy-1H-isoindol-1-one Mertsalov, Dmitriy F. Nadirova, Maryana A. Chervyakova, Lala V. Grigoriev, Mikhail S. Shelukho, Evgeniya R. Çelikesir, Sevim Türktekin Akkurt, Mehmet Mlowe, Sixberth Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(15)H(15)Br(2)NO(2), two bridged tetra­hydro­furan rings adopt envelope conformations with the O atom as the flap. The pyrrolidine ring also adopts an envelope conformation with the spiro C atom as the flap. In the crystal, the mol­ecules are linked into dimers by pairs of C—H⋯O hydrogen bonds, thus generating R (2) (2)(18) rings. The crystal packing is dominated by H⋯H, Br⋯H, H⋯π and Br⋯π inter­actions. One of the Br atoms is disordered over two sites with occupation ratio of 0.833 (8):0.167 (8). International Union of Crystallography 2021-02-09 /pmc/articles/PMC8061099/ /pubmed/33953943 http://dx.doi.org/10.1107/S205698902100116X 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.
Nadirova, Maryana A.
Chervyakova, Lala V.
Grigoriev, Mikhail S.
Shelukho, Evgeniya R.
Çelikesir, Sevim Türktekin
Akkurt, Mehmet
Mlowe, Sixberth
Crystal structure and Hirshfeld surface analysis of 4,5-di­bromo-6-methyl-2-phenyl-2,3,3a,4,5,6,7,7a-octa­hydro-3a,6-ep­oxy-1H-isoindol-1-one
title Crystal structure and Hirshfeld surface analysis of 4,5-di­bromo-6-methyl-2-phenyl-2,3,3a,4,5,6,7,7a-octa­hydro-3a,6-ep­oxy-1H-isoindol-1-one
title_full Crystal structure and Hirshfeld surface analysis of 4,5-di­bromo-6-methyl-2-phenyl-2,3,3a,4,5,6,7,7a-octa­hydro-3a,6-ep­oxy-1H-isoindol-1-one
title_fullStr Crystal structure and Hirshfeld surface analysis of 4,5-di­bromo-6-methyl-2-phenyl-2,3,3a,4,5,6,7,7a-octa­hydro-3a,6-ep­oxy-1H-isoindol-1-one
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 4,5-di­bromo-6-methyl-2-phenyl-2,3,3a,4,5,6,7,7a-octa­hydro-3a,6-ep­oxy-1H-isoindol-1-one
title_short Crystal structure and Hirshfeld surface analysis of 4,5-di­bromo-6-methyl-2-phenyl-2,3,3a,4,5,6,7,7a-octa­hydro-3a,6-ep­oxy-1H-isoindol-1-one
title_sort crystal structure and hirshfeld surface analysis of 4,5-di­bromo-6-methyl-2-phenyl-2,3,3a,4,5,6,7,7a-octa­hydro-3a,6-ep­oxy-1h-isoindol-1-one
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8061099/
https://www.ncbi.nlm.nih.gov/pubmed/33953943
http://dx.doi.org/10.1107/S205698902100116X
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