8-Benzoyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one monohydrate
In the title compound, C17H12O4·H2O, the coumarin ring system is approximately planar with a maximum atomic deviation of 0.011 (2) Å, and is nearly perpendicular to the phenyl ring at a dihedral angle of 86.63 (9)°. In...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2010-12-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810046350 |
| _version_ | 1818791634025840640 |
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| author | Xiao-Yun Chen Shu-Ping Yang Da-Qi Wang Li-Jun Han |
| author_facet | Xiao-Yun Chen Shu-Ping Yang Da-Qi Wang Li-Jun Han |
| author_sort | Xiao-Yun Chen |
| collection | DOAJ |
| description | In the title compound, C17H12O4·H2O, the coumarin ring system is approximately planar with a maximum atomic deviation of 0.011 (2) Å, and is nearly perpendicular to the phenyl ring at a dihedral angle of 86.63 (9)°. In the crystal, molecules are linked by classical O—H...O and weak C—H...O hydrogen bonds. π–π stacking is also present [centroid–centroid distance = 3.6898 (12) Å]. |
| first_indexed | 2024-12-18T15:14:28Z |
| format | Article |
| id | doaj.art-cd0a070c4a004756bca6d55277784bd4 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-18T15:14:28Z |
| publishDate | 2010-12-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-cd0a070c4a004756bca6d55277784bd42022-12-21T21:03:33ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-12-016612o3183o318310.1107/S16005368100463508-Benzoyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one monohydrateXiao-Yun ChenShu-Ping YangDa-Qi WangLi-Jun HanIn the title compound, C17H12O4·H2O, the coumarin ring system is approximately planar with a maximum atomic deviation of 0.011 (2) Å, and is nearly perpendicular to the phenyl ring at a dihedral angle of 86.63 (9)°. In the crystal, molecules are linked by classical O—H...O and weak C—H...O hydrogen bonds. π–π stacking is also present [centroid–centroid distance = 3.6898 (12) Å].http://scripts.iucr.org/cgi-bin/paper?S1600536810046350 |
| spellingShingle | Xiao-Yun Chen Shu-Ping Yang Da-Qi Wang Li-Jun Han 8-Benzoyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one monohydrate Acta Crystallographica Section E |
| title | 8-Benzoyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one monohydrate |
| title_full | 8-Benzoyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one monohydrate |
| title_fullStr | 8-Benzoyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one monohydrate |
| title_full_unstemmed | 8-Benzoyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one monohydrate |
| title_short | 8-Benzoyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one monohydrate |
| title_sort | 8 benzoyl 7 hydroxy 4 methyl 2h 1 benzopyran 2 one monohydrate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810046350 |
| work_keys_str_mv | AT xiaoyunchen 8benzoyl7hydroxy4methyl2h1benzopyran2onemonohydrate AT shupingyang 8benzoyl7hydroxy4methyl2h1benzopyran2onemonohydrate AT daqiwang 8benzoyl7hydroxy4methyl2h1benzopyran2onemonohydrate AT lijunhan 8benzoyl7hydroxy4methyl2h1benzopyran2onemonohydrate |