Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadecane-13-spiro-5′-pyrazole-3′-carboxylate
The ten-membered ring in the title molecule, C25H29ClN2O7, 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 dih...
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International Union of Crystallography
2020-07-01
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314620009451 |
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doaj-1794728612454e309a7dd76073078a0a2020-11-25T02:49:18ZengInternational Union of CrystallographyIUCrData2414-31462020-07-0157x20094510.1107/S2414314620009451bt4095Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadecane-13-spiro-5′-pyrazole-3′-carboxylateFatima Outahar0Mohamed Moumou1El Mostapha Rakib2Abdellah Hannioui3Mohamed Saadi4Lahcen El Ammari5Laboratory of Organic and Analytical Chemistry, Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, Béni-Mellal, MoroccoLaboratory of Organic and Analytical Chemistry, Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, Béni-Mellal, MoroccoLaboratory of Organic and Analytical Chemistry, Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, Béni-Mellal, MoroccoLaboratoire de Chimie Physique et Chimie Biorganique, Faculté des Sciences et Techniques, Université Hassan II, Casablanca, BP 146 Mohammedia, MoroccoLaboratoire de Chimie Appliquée des Matériaux, Centre des Sciences des Matériaux, Faculty of Sciences, Mohammed V University in Rabat, Avenue Ibn Batouta, BP 1014, Rabat, MoroccoLaboratoire de Chimie Appliquée des Matériaux, Centre des Sciences des Matériaux, Faculty of Sciences, Mohammed V University in Rabat, Avenue Ibn Batouta, BP 1014, Rabat, MoroccoThe ten-membered ring in the title molecule, C25H29ClN2O7, 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.http://scripts.iucr.org/cgi-bin/paper?S2414314620009451crystal structurehydrogen bondingfuranpyrazole |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Fatima Outahar Mohamed Moumou El Mostapha Rakib Abdellah Hannioui Mohamed Saadi Lahcen El Ammari |
| spellingShingle |
Fatima Outahar Mohamed Moumou El Mostapha Rakib Abdellah Hannioui Mohamed Saadi Lahcen El Ammari Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadecane-13-spiro-5′-pyrazole-3′-carboxylate IUCrData crystal structure hydrogen bonding furan pyrazole |
| author_facet |
Fatima Outahar Mohamed Moumou El Mostapha Rakib Abdellah Hannioui Mohamed Saadi Lahcen El Ammari |
| author_sort |
Fatima Outahar |
| title |
Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadecane-13-spiro-5′-pyrazole-3′-carboxylate |
| title_short |
Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadecane-13-spiro-5′-pyrazole-3′-carboxylate |
| title_full |
Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadecane-13-spiro-5′-pyrazole-3′-carboxylate |
| title_fullStr |
Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadecane-13-spiro-5′-pyrazole-3′-carboxylate |
| title_full_unstemmed |
Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadecane-13-spiro-5′-pyrazole-3′-carboxylate |
| title_sort |
ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadecane-13-spiro-5′-pyrazole-3′-carboxylate |
| publisher |
International Union of Crystallography |
| series |
IUCrData |
| issn |
2414-3146 |
| publishDate |
2020-07-01 |
| description |
The ten-membered ring in the title molecule, C25H29ClN2O7, 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. |
| topic |
crystal structure hydrogen bonding furan pyrazole |
| url |
http://scripts.iucr.org/cgi-bin/paper?S2414314620009451 |
| work_keys_str_mv |
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