2-(2-Chlorophenyl)-7-methyl-4H-chromen-4-one
✍ Scribed by Wang, Xiao-Bing ;Kong, Ling-Yi
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 446 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C~16~H~11~ClO~2~, is a synthetic flavonoid. The fused-ring system is almost planar, with a mean deviation from the least-squares plane of 0.0204 (2) Å. The dihedral angle between the chromene group and the chlorophenyl ring is 50.9 (6)°, due to unfavourable steric interactions with the Cl atom. Aromatic π–π stacking interactions between the fused benzene (π-rich) and pyran (π-deficient) rings are observed, with a centroid–centroid distance of 3.578 Å.
📜 SIMILAR VOLUMES
In the crystal structure of the title compound, C 10 H 6 Br 2 O 2 , centrosymmetric hydrogen-bonded dimers are formed via C-HÁ Á ÁO hydrogen bonds.stacking interactions involving these dimers are also observed.
The piperazine ring adopts an almost perfect chair conformation. Intermolecularinteractions and C-HÁ Á ÁO hydrogen bonds stabilize the crystal packing.
There are two independent molecules in the asymmetric unit of the title compound, C 30 H 26 ClNO 3 . Both molecules are linked through C-HÁ Á ÁO hydrogen bonds into centrosymmetric dimers, providing stabilization.
Single-crystal X-ray study T = 100 K Mean (C-C) = 0.004 A R factor = 0.056 wR factor = 0.105 Data-to-parameter ratio = 12.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.