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Crystal structure and Hirshfeld surface analysis of dimethyl (1R*,3aS*,3a(1) R*,6aS*,9R*,9aS*)-3a(1),5,6,9a-tetra­hydro-1H,4H,9H-1,3a:6a,9-di­epoxy­phenalene-2,3-di­carboxyl­ate

The title di­epoxy­phenalene derivative, C(17)H(18)O(6), comprises a fused cyclic system containing four five-membered rings (two di­hydro­furan and two tetra­hydro­furan) and one six-membered ring (cyclo­hexa­ne). The five-membered di­hydro­furan and tetra­hydro­furan rings adopt envelope conformat...

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Autores principales: Alekseeva, Kseniia A., Raspertov, Pavel V., Çelikesir, Sevim Türktekin, Akkurt, Mehmet, Toze, Flavien A. A., Sorokina, Elena A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6509682/
https://www.ncbi.nlm.nih.gov/pubmed/31161057
http://dx.doi.org/10.1107/S2056989019003499
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author Alekseeva, Kseniia A.
Raspertov, Pavel V.
Çelikesir, Sevim Türktekin
Akkurt, Mehmet
Toze, Flavien A. A.
Sorokina, Elena A.
author_facet Alekseeva, Kseniia A.
Raspertov, Pavel V.
Çelikesir, Sevim Türktekin
Akkurt, Mehmet
Toze, Flavien A. A.
Sorokina, Elena A.
author_sort Alekseeva, Kseniia A.
collection PubMed
description The title di­epoxy­phenalene derivative, C(17)H(18)O(6), comprises a fused cyclic system containing four five-membered rings (two di­hydro­furan and two tetra­hydro­furan) and one six-membered ring (cyclo­hexa­ne). The five-membered di­hydro­furan and tetra­hydro­furan rings adopt envelope conformations, and the six-membered cyclo­hexane ring adopts a distorted chair conformation. Two methyl carboxyl­ate groups occupy adjacent positions (2- and 3-) on a tetra­hydro­furan ring. In the crystal, two pairs of C—H⋯O hydrogen bonds link the mol­ecules to form inversion dimers, enclosing two R (2) (2)(6) ring motifs, that stack along the a-axis direction and are arranged in layers parallel to the bc plane.
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spelling pubmed-65096822019-06-03 Crystal structure and Hirshfeld surface analysis of dimethyl (1R*,3aS*,3a(1) R*,6aS*,9R*,9aS*)-3a(1),5,6,9a-tetra­hydro-1H,4H,9H-1,3a:6a,9-di­epoxy­phenalene-2,3-di­carboxyl­ate Alekseeva, Kseniia A. Raspertov, Pavel V. Çelikesir, Sevim Türktekin Akkurt, Mehmet Toze, Flavien A. A. Sorokina, Elena A. Acta Crystallogr E Crystallogr Commun Research Communications The title di­epoxy­phenalene derivative, C(17)H(18)O(6), comprises a fused cyclic system containing four five-membered rings (two di­hydro­furan and two tetra­hydro­furan) and one six-membered ring (cyclo­hexa­ne). The five-membered di­hydro­furan and tetra­hydro­furan rings adopt envelope conformations, and the six-membered cyclo­hexane ring adopts a distorted chair conformation. Two methyl carboxyl­ate groups occupy adjacent positions (2- and 3-) on a tetra­hydro­furan ring. In the crystal, two pairs of C—H⋯O hydrogen bonds link the mol­ecules to form inversion dimers, enclosing two R (2) (2)(6) ring motifs, that stack along the a-axis direction and are arranged in layers parallel to the bc plane. International Union of Crystallography 2019-03-20 /pmc/articles/PMC6509682/ /pubmed/31161057 http://dx.doi.org/10.1107/S2056989019003499 Text en © Alekseeva et al. 2019 http://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.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Alekseeva, Kseniia A.
Raspertov, Pavel V.
Çelikesir, Sevim Türktekin
Akkurt, Mehmet
Toze, Flavien A. A.
Sorokina, Elena A.
Crystal structure and Hirshfeld surface analysis of dimethyl (1R*,3aS*,3a(1) R*,6aS*,9R*,9aS*)-3a(1),5,6,9a-tetra­hydro-1H,4H,9H-1,3a:6a,9-di­epoxy­phenalene-2,3-di­carboxyl­ate
title Crystal structure and Hirshfeld surface analysis of dimethyl (1R*,3aS*,3a(1) R*,6aS*,9R*,9aS*)-3a(1),5,6,9a-tetra­hydro-1H,4H,9H-1,3a:6a,9-di­epoxy­phenalene-2,3-di­carboxyl­ate
title_full Crystal structure and Hirshfeld surface analysis of dimethyl (1R*,3aS*,3a(1) R*,6aS*,9R*,9aS*)-3a(1),5,6,9a-tetra­hydro-1H,4H,9H-1,3a:6a,9-di­epoxy­phenalene-2,3-di­carboxyl­ate
title_fullStr Crystal structure and Hirshfeld surface analysis of dimethyl (1R*,3aS*,3a(1) R*,6aS*,9R*,9aS*)-3a(1),5,6,9a-tetra­hydro-1H,4H,9H-1,3a:6a,9-di­epoxy­phenalene-2,3-di­carboxyl­ate
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of dimethyl (1R*,3aS*,3a(1) R*,6aS*,9R*,9aS*)-3a(1),5,6,9a-tetra­hydro-1H,4H,9H-1,3a:6a,9-di­epoxy­phenalene-2,3-di­carboxyl­ate
title_short Crystal structure and Hirshfeld surface analysis of dimethyl (1R*,3aS*,3a(1) R*,6aS*,9R*,9aS*)-3a(1),5,6,9a-tetra­hydro-1H,4H,9H-1,3a:6a,9-di­epoxy­phenalene-2,3-di­carboxyl­ate
title_sort crystal structure and hirshfeld surface analysis of dimethyl (1r*,3as*,3a(1) r*,6as*,9r*,9as*)-3a(1),5,6,9a-tetra­hydro-1h,4h,9h-1,3a:6a,9-di­epoxy­phenalene-2,3-di­carboxyl­ate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6509682/
https://www.ncbi.nlm.nih.gov/pubmed/31161057
http://dx.doi.org/10.1107/S2056989019003499
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