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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...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2019
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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. |
format | Online Article Text |
id | pubmed-6509682 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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