2-Methyl-3′-(4-methylphenyl)-4′-(2-nitrophenyl)-4′H-spiro[chroman-3,5′-isoxazol]-4-one
The title compound, C25H20N2O5, crystallizes with two molecules (A and B) in the asymmetric unit with similar conformations. The five-membered rings are both in envelope conformations with the spiro C atom as the flap. The six-membered heterocycles display half-chair conformations. The mean plane th...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2018-07-01
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| Series: | IUCrData |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314618009628 |
| _version_ | 1818060509857972224 |
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| author | Asmae Mahfoud Ghali Al Houari Mohamed El Yazidi Mohamed Saadi Lahcen El Ammari |
| author_facet | Asmae Mahfoud Ghali Al Houari Mohamed El Yazidi Mohamed Saadi Lahcen El Ammari |
| author_sort | Asmae Mahfoud |
| collection | DOAJ |
| description | The title compound, C25H20N2O5, crystallizes with two molecules (A and B) in the asymmetric unit with similar conformations. The five-membered rings are both in envelope conformations with the spiro C atom as the flap. The six-membered heterocycles display half-chair conformations. The mean plane through the isoxazole ring is nearly perpendicular to those through the spiro-chroman system and the 4-nitrophenyl moieties, as indicated by the dihedral angles of 81.42 (9) and 87.58 (8)°, respectively, between them in molecule A. Equivalent data for molecule B are 75.58 (9) and 84.15 (8)°, respectively. The p-tolyl plane makes a dihedral angles of 24.10 (9) and 28.78 (8)° with the isoxazole ring in molecules A and B, respectively. In the crystal, molecules are linked by C—H...O and C—H...N hydrogen bonds and C—H...π interaction, forming a three-dimensional network. |
| first_indexed | 2024-12-10T13:33:33Z |
| format | Article |
| id | doaj.art-57f62f2c7e4d4d1b89a52bb73cbe1775 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-12-10T13:33:33Z |
| publishDate | 2018-07-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-57f62f2c7e4d4d1b89a52bb73cbe17752022-12-22T01:46:54ZengInternational Union of CrystallographyIUCrData2414-31462018-07-0137x18096210.1107/S2414314618009628hb42442-Methyl-3′-(4-methylphenyl)-4′-(2-nitrophenyl)-4′H-spiro[chroman-3,5′-isoxazol]-4-oneAsmae Mahfoud0Ghali Al Houari1Mohamed El Yazidi2Mohamed Saadi3Lahcen El Ammari4Laboratoire de Chimie Organique, Faculté des Sciences Dhar EL Mahraz, Université Sidi Mohamed Ben Abdellah, BP 1796, 30000, Fès, MoroccoLaboratoire de Chimie Organique, Faculté des Sciences Dhar EL Mahraz, Université Sidi Mohamed Ben Abdellah, BP 1796, 30000, Fès, MoroccoLaboratoire de Chimie Organique, Faculté des Sciences Dhar EL Mahraz, Université Sidi Mohamed Ben Abdellah, BP 1796, 30000, Fès, MoroccoLaboratoire de Chimie Appliquée des Matériaux, Centres des Sciences des Matériaux, Faculty of Sciences, Mohammed V University in Rabat, Avenue Ibn Battouta, BP 1014, Rabat, MoroccoLaboratoire de Chimie Appliquée des Matériaux, Centres des Sciences des Matériaux, Faculty of Sciences, Mohammed V University in Rabat, Avenue Ibn Battouta, BP 1014, Rabat, MoroccoThe title compound, C25H20N2O5, crystallizes with two molecules (A and B) in the asymmetric unit with similar conformations. The five-membered rings are both in envelope conformations with the spiro C atom as the flap. The six-membered heterocycles display half-chair conformations. The mean plane through the isoxazole ring is nearly perpendicular to those through the spiro-chroman system and the 4-nitrophenyl moieties, as indicated by the dihedral angles of 81.42 (9) and 87.58 (8)°, respectively, between them in molecule A. Equivalent data for molecule B are 75.58 (9) and 84.15 (8)°, respectively. The p-tolyl plane makes a dihedral angles of 24.10 (9) and 28.78 (8)° with the isoxazole ring in molecules A and B, respectively. In the crystal, molecules are linked by C—H...O and C—H...N hydrogen bonds and C—H...π interaction, forming a three-dimensional network.http://scripts.iucr.org/cgi-bin/paper?S2414314618009628crystal structurenitrophenylchroman-4-oneisoxazolhydrogen bonds |
| spellingShingle | Asmae Mahfoud Ghali Al Houari Mohamed El Yazidi Mohamed Saadi Lahcen El Ammari 2-Methyl-3′-(4-methylphenyl)-4′-(2-nitrophenyl)-4′H-spiro[chroman-3,5′-isoxazol]-4-one IUCrData crystal structure nitrophenyl chroman-4-one isoxazol hydrogen bonds |
| title | 2-Methyl-3′-(4-methylphenyl)-4′-(2-nitrophenyl)-4′H-spiro[chroman-3,5′-isoxazol]-4-one |
| title_full | 2-Methyl-3′-(4-methylphenyl)-4′-(2-nitrophenyl)-4′H-spiro[chroman-3,5′-isoxazol]-4-one |
| title_fullStr | 2-Methyl-3′-(4-methylphenyl)-4′-(2-nitrophenyl)-4′H-spiro[chroman-3,5′-isoxazol]-4-one |
| title_full_unstemmed | 2-Methyl-3′-(4-methylphenyl)-4′-(2-nitrophenyl)-4′H-spiro[chroman-3,5′-isoxazol]-4-one |
| title_short | 2-Methyl-3′-(4-methylphenyl)-4′-(2-nitrophenyl)-4′H-spiro[chroman-3,5′-isoxazol]-4-one |
| title_sort | 2 methyl 3 4 methylphenyl 4 2 nitrophenyl 4 h spiro chroman 3 5 isoxazol 4 one |
| topic | crystal structure nitrophenyl chroman-4-one isoxazol hydrogen bonds |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314618009628 |
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