Crystal structure and Hirshfeld surface analysis of 2-oxo-13-epi-manoyl oxide isolated from Sideritis perfoliata

The title compound, C(20)H(32)O(2) (systematic name: 3-ethenyl-3,4a,7,7,10a-penta­methyl­dodeca­hydro-9H-benzo[f]chromen-9-one), was isolated from Sideritis perfoliata. In the crystal, mol­ecules pack in helical supra­molecular chains along the 2(1) screw axis running parallel to the a axis, bound b...

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Autores principales: Çelik, Ísmail, Atioğlu, Zeliha, Aksit, Huseyin, Demirtas, Ibrahim, Erenler, Ramazan, Akkurt, Mehmet
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947494/
https://www.ncbi.nlm.nih.gov/pubmed/29850098
http://dx.doi.org/10.1107/S2056989018005807
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author Çelik, Ísmail
Atioğlu, Zeliha
Aksit, Huseyin
Demirtas, Ibrahim
Erenler, Ramazan
Akkurt, Mehmet
author_facet Çelik, Ísmail
Atioğlu, Zeliha
Aksit, Huseyin
Demirtas, Ibrahim
Erenler, Ramazan
Akkurt, Mehmet
author_sort Çelik, Ísmail
collection PubMed
description The title compound, C(20)H(32)O(2) (systematic name: 3-ethenyl-3,4a,7,7,10a-penta­methyl­dodeca­hydro-9H-benzo[f]chromen-9-one), was isolated from Sideritis perfoliata. In the crystal, mol­ecules pack in helical supra­molecular chains along the 2(1) screw axis running parallel to the a axis, bound by C—H⋯O hydrogen bonds. These chains are efficiently inter­locked in the other two unit-cell directions via van der Waals inter­actions. Hirshfeld surface analysis shows that van der Waals inter­actions constitute the major contribution to the inter­molecular inter­actions, with H⋯H contacts accounting for 86.0% of the surface.
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spelling pubmed-59474942018-05-30 Crystal structure and Hirshfeld surface analysis of 2-oxo-13-epi-manoyl oxide isolated from Sideritis perfoliata Çelik, Ísmail Atioğlu, Zeliha Aksit, Huseyin Demirtas, Ibrahim Erenler, Ramazan Akkurt, Mehmet Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(20)H(32)O(2) (systematic name: 3-ethenyl-3,4a,7,7,10a-penta­methyl­dodeca­hydro-9H-benzo[f]chromen-9-one), was isolated from Sideritis perfoliata. In the crystal, mol­ecules pack in helical supra­molecular chains along the 2(1) screw axis running parallel to the a axis, bound by C—H⋯O hydrogen bonds. These chains are efficiently inter­locked in the other two unit-cell directions via van der Waals inter­actions. Hirshfeld surface analysis shows that van der Waals inter­actions constitute the major contribution to the inter­molecular inter­actions, with H⋯H contacts accounting for 86.0% of the surface. International Union of Crystallography 2018-04-27 /pmc/articles/PMC5947494/ /pubmed/29850098 http://dx.doi.org/10.1107/S2056989018005807 Text en © Çelik et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ 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/2.0/uk/
spellingShingle Research Communications
Çelik, Ísmail
Atioğlu, Zeliha
Aksit, Huseyin
Demirtas, Ibrahim
Erenler, Ramazan
Akkurt, Mehmet
Crystal structure and Hirshfeld surface analysis of 2-oxo-13-epi-manoyl oxide isolated from Sideritis perfoliata
title Crystal structure and Hirshfeld surface analysis of 2-oxo-13-epi-manoyl oxide isolated from Sideritis perfoliata
title_full Crystal structure and Hirshfeld surface analysis of 2-oxo-13-epi-manoyl oxide isolated from Sideritis perfoliata
title_fullStr Crystal structure and Hirshfeld surface analysis of 2-oxo-13-epi-manoyl oxide isolated from Sideritis perfoliata
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 2-oxo-13-epi-manoyl oxide isolated from Sideritis perfoliata
title_short Crystal structure and Hirshfeld surface analysis of 2-oxo-13-epi-manoyl oxide isolated from Sideritis perfoliata
title_sort crystal structure and hirshfeld surface analysis of 2-oxo-13-epi-manoyl oxide isolated from sideritis perfoliata
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947494/
https://www.ncbi.nlm.nih.gov/pubmed/29850098
http://dx.doi.org/10.1107/S2056989018005807
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