9α-Hydroxy-4,8-dimethyl-3′-phenyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one-12-spiro-5′-isoxazole monohydrate
In the title compound, C22H25NO5·H2O, the ten-membered ring displays an approximate chair–chair conformation, whereas the five-membered furan ring has an envelope conformation, with the C atom of the methine group adjacent to the spiro C atom as the flap. The isoxazole ring is almost planar and its...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2019-10-01
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| Series: | IUCrData |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314619014081 |
| _version_ | 1811214864442458112 |
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| author | Fatima Outahar Abdellah Hannioui El Mostapha Rakib Mohamed Akssira Mohamed Saadi Lahcen El Ammari |
| author_facet | Fatima Outahar Abdellah Hannioui El Mostapha Rakib Mohamed Akssira Mohamed Saadi Lahcen El Ammari |
| author_sort | Fatima Outahar |
| collection | DOAJ |
| description | In the title compound, C22H25NO5·H2O, the ten-membered ring displays an approximate chair–chair conformation, whereas the five-membered furan ring has an envelope conformation, with the C atom of the methine group adjacent to the spiro C atom as the flap. The isoxazole ring is almost planar and its plane is slightly inclined to the plane of the attached phenyl ring. The mean plane of the furan ring is nearly perpendicular to that of the isoxazole ring, as indicated by the dihedral angle between them of 89.39 (12)°. In the crystal, the organic molecules are linked into [010] chains by O—H...O hydrogen bonds. The water molecule forms O—H...O and O—H...N hydrogen bonds and a weak C—H...O interaction is also observed. Together, these lead to a three-dimensional network. |
| first_indexed | 2024-04-12T06:11:36Z |
| format | Article |
| id | doaj.art-5d0b0d3fb94c4eb5b8453d5ef7b46bfd |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-04-12T06:11:36Z |
| publishDate | 2019-10-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-5d0b0d3fb94c4eb5b8453d5ef7b46bfd2022-12-22T03:44:40ZengInternational Union of CrystallographyIUCrData2414-31462019-10-01410x19140810.1107/S2414314619014081hb43219α-Hydroxy-4,8-dimethyl-3′-phenyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one-12-spiro-5′-isoxazole monohydrateFatima Outahar0Abdellah Hannioui1El Mostapha Rakib2Mohamed Akssira3Mohamed Saadi4Lahcen El Ammari5Laboratoire de Chimie Organique et Analytique, Université Sultan Moulay Slimane, Faculté des Sciences et Techniques, Beni-Mellal, BP 523, MoroccoLaboratoire de Chimie Organique et Analytique, Université Sultan Moulay Slimane, Faculté des Sciences et Techniques, Beni-Mellal, BP 523, MoroccoLaboratoire de Chimie Organique et Analytique, Université Sultan Moulay Slimane, Faculté des Sciences et Techniques, Beni-Mellal, BP 523, 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, MoroccoIn the title compound, C22H25NO5·H2O, the ten-membered ring displays an approximate chair–chair conformation, whereas the five-membered furan ring has an envelope conformation, with the C atom of the methine group adjacent to the spiro C atom as the flap. The isoxazole ring is almost planar and its plane is slightly inclined to the plane of the attached phenyl ring. The mean plane of the furan ring is nearly perpendicular to that of the isoxazole ring, as indicated by the dihedral angle between them of 89.39 (12)°. In the crystal, the organic molecules are linked into [010] chains by O—H...O hydrogen bonds. The water molecule forms O—H...O and O—H...N hydrogen bonds and a weak C—H...O interaction is also observed. Together, these lead to a three-dimensional network.http://scripts.iucr.org/cgi-bin/paper?S2414314619014081crystal structurehydrogen bondingmedicinal compound |
| spellingShingle | Fatima Outahar Abdellah Hannioui El Mostapha Rakib Mohamed Akssira Mohamed Saadi Lahcen El Ammari 9α-Hydroxy-4,8-dimethyl-3′-phenyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one-12-spiro-5′-isoxazole monohydrate IUCrData crystal structure hydrogen bonding medicinal compound |
| title | 9α-Hydroxy-4,8-dimethyl-3′-phenyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one-12-spiro-5′-isoxazole monohydrate |
| title_full | 9α-Hydroxy-4,8-dimethyl-3′-phenyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one-12-spiro-5′-isoxazole monohydrate |
| title_fullStr | 9α-Hydroxy-4,8-dimethyl-3′-phenyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one-12-spiro-5′-isoxazole monohydrate |
| title_full_unstemmed | 9α-Hydroxy-4,8-dimethyl-3′-phenyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one-12-spiro-5′-isoxazole monohydrate |
| title_short | 9α-Hydroxy-4,8-dimethyl-3′-phenyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one-12-spiro-5′-isoxazole monohydrate |
| title_sort | 9α hydroxy 4 8 dimethyl 3 phenyl 3 14 dioxatricyclo 9 3 0 02 4 tetradec 7 en 13 one 12 spiro 5 isoxazole monohydrate |
| topic | crystal structure hydrogen bonding medicinal compound |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314619014081 |
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