Single-crystal X-ray study T = 295 K Mean '(C±C) = 0.004 A Ê R factor = 0.055 wR factor = 0.157 Data-to-parameter ratio = 13.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
3-Acetyl-7-methoxycoumarin
✍ Scribed by Han, Hong-Mei ;Lu, Cheng-Rong ;Zhang, Yong ;Zhang, De-Chun
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 221 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
In the title molecule, C 12 H 10 O 4 , the lactone and benzene rings are coplanar, while the plane of the acetyl substituent is rotated by 12.26 (9) from the molecular plane. The molecules stack throughinteractions along [100] and these stacks are laterally connected by C-HÁ Á ÁO hydrogen bonds along the other two axial directions.
📜 SIMILAR VOLUMES
In the genistein-related title compound, C 19 H 16 O 6 , the dihedral angle between the two benzene-ring planes is 52.81 (9) .
## Abstract 3‐Acetylcoumarine was condensed with dimethylformamide dimethylacetal (DMFDMA) to yield the enaminone, which reacts readily with hydroxylamine and with hydrazines to yield coumarin‐3‐ylisoxazoles and coumarin‐3‐ylpyrazoles respectively. Reaction of the enaminone with benzamidine hydroch
The chiral title compound, C 8 H 9 NO 4 , crystallizes in the noncentrosymmetric space group P2 1 2 1 2 1 , but in the absence of an atom with significant anomalous dispersion, the absolute configuration could not be determined. The H atoms in both methyl groups are eclipsed with respect to the C O