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Updated: May 9, 2026
Microcrystal Electron Diffraction of Small Molecules
Published on: March 15, 2021
Crystal and mol-ecular structures of datiscetin and its monohydrate isolated from Datisca cannabina L
Dilnoza Sh Akhmedova1, Kambaral K Turgunov1, Sabir Z Nishanbaev1
1S. Yunusov Institute of the Chemistry of Plant Substances Academy of Sciences of Uzbekistan Mirzo Ulugbek Str 77 Tashkent 100170 Uzbekistan.
Abstract:
The crystal structures of the flavonoid datiscetin [3,5,7-trihy-droxy-2-(2-hy-droxy-phen-yl)chromen-4-one], C15H10O6, and its monohydrate, C15H10O6·H2O, were determined by single-crystal X-ray diffraction analysis. The flavonoid was isolated from the ethyl acetate fraction of Datisca cannabina L. collected in Tashkent region, Uzbekistan. In both structures, the chromenone ring system and the phenyl ring form nearly the same dihedral angles (38.3 and 38.7° for the anhydrate and monohydrate, respectively). In addition, in both structures, the mol-ecules stack through π-π inter-actions along the shortest translation axis of the unit cell [3.7601 (1) and 3.9274 (5) Å, respectively], resulting in the formation of needle-shaped single crystals.
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