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Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0(2,4).0(7,9)]pentadecane-13-spiro-5′-pyrazole-3′-carboxylate
The ten-membered ring in the title molecule, C(25)H(29)ClN(2)O(7), adopts an approximate chair–chair conformation, whereas the five-membered furan and pyrazole rings display envelope conformations. The mean plane of the furan ring is almost perpendicular to that of the pyrazole ring, as indicated b...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462250/ https://www.ncbi.nlm.nih.gov/pubmed/36339783 http://dx.doi.org/10.1107/S2414314620009451 |
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author | Outahar, Fatima Moumou, Mohamed Rakib, El Mostapha Hannioui, Abdellah Saadi, Mohamed El Ammari, Lahcen |
author_facet | Outahar, Fatima Moumou, Mohamed Rakib, El Mostapha Hannioui, Abdellah Saadi, Mohamed El Ammari, Lahcen |
author_sort | Outahar, Fatima |
collection | PubMed |
description | The ten-membered ring in the title molecule, C(25)H(29)ClN(2)O(7), adopts an approximate chair–chair conformation, whereas the five-membered furan and pyrazole rings display envelope conformations. The mean plane of the furan ring is almost perpendicular to that of the pyrazole ring, as indicated by the dihedral angle between them of 86.45 (9)°. The pyrazole ring is slightly inclined to the plane of the attached phenyl ring, subtending a dihedral angle of 16.88 (8)°. The conformation of the molecule is stabilized by six intramolecular hydrogen bonds and crystal cohesion is ensured by five C—H⋯O hydrogen bonds, in addition to C—H⋯π interactions. [Image: see text] |
format | Online Article Text |
id | pubmed-9462250 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-94622502022-11-04 Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0(2,4).0(7,9)]pentadecane-13-spiro-5′-pyrazole-3′-carboxylate Outahar, Fatima Moumou, Mohamed Rakib, El Mostapha Hannioui, Abdellah Saadi, Mohamed El Ammari, Lahcen IUCrdata Data Reports The ten-membered ring in the title molecule, C(25)H(29)ClN(2)O(7), adopts an approximate chair–chair conformation, whereas the five-membered furan and pyrazole rings display envelope conformations. The mean plane of the furan ring is almost perpendicular to that of the pyrazole ring, as indicated by the dihedral angle between them of 86.45 (9)°. The pyrazole ring is slightly inclined to the plane of the attached phenyl ring, subtending a dihedral angle of 16.88 (8)°. The conformation of the molecule is stabilized by six intramolecular hydrogen bonds and crystal cohesion is ensured by five C—H⋯O hydrogen bonds, in addition to C—H⋯π interactions. [Image: see text] International Union of Crystallography 2020-07-21 /pmc/articles/PMC9462250/ /pubmed/36339783 http://dx.doi.org/10.1107/S2414314620009451 Text en © Outahar et al. 2020 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 | Data Reports Outahar, Fatima Moumou, Mohamed Rakib, El Mostapha Hannioui, Abdellah Saadi, Mohamed El Ammari, Lahcen Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0(2,4).0(7,9)]pentadecane-13-spiro-5′-pyrazole-3′-carboxylate |
title | Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0(2,4).0(7,9)]pentadecane-13-spiro-5′-pyrazole-3′-carboxylate |
title_full | Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0(2,4).0(7,9)]pentadecane-13-spiro-5′-pyrazole-3′-carboxylate |
title_fullStr | Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0(2,4).0(7,9)]pentadecane-13-spiro-5′-pyrazole-3′-carboxylate |
title_full_unstemmed | Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0(2,4).0(7,9)]pentadecane-13-spiro-5′-pyrazole-3′-carboxylate |
title_short | Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0(2,4).0(7,9)]pentadecane-13-spiro-5′-pyrazole-3′-carboxylate |
title_sort | ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0(2,4).0(7,9)]pentadecane-13-spiro-5′-pyrazole-3′-carboxylate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462250/ https://www.ncbi.nlm.nih.gov/pubmed/36339783 http://dx.doi.org/10.1107/S2414314620009451 |
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