The title compound, C16H14O5·2H2O [systematic name: 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one dihydrate], is a natural phytoalexin flavone isolated from the native chilean species Heliotropium taltalense and crystallizes with an organic molecule and two water molecules in the asymmetric unit. The 5-hydroxy group forms a strong intramolecular hydrogen bond with the carbonyl group, resulting in a six-membered ring. In the crystal, the components are linked by O—H⋯O hydrogen bonds, forming a three-dimensional network. The 4-hydroxyphenyl benzene ring is bonded equatorially to the pyrone ring, which adopts a slightly distorted sofa conformation. The title compound is the hydrated form of a previously reported structure [Shoja (1990 ▶). Acta Cryst. C46, 1969–1971]. There are only slight variations in the molecular geometry between the two compounds.
CCDC no.: 1526063The asymmetric unit of the title crystal structure is shown in the gure. Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters.
An Unusual Mulinane Diterpenoid from the Chilean Plant Azorella trifurcata (Gaertn) Pers. -Four new mulinane-type diterpenoids are isolated from Azorella trifurcata. Compound (I) possesses a new trans-syn-trans arranged tricyclic ring skeleton. -(ARECHE*, C.; SEPULVEDA, B.; SAN MARTIN, A.; GARCIA-BELTRAN, O.; SIMIRGIOTIS, M.; CANETE, A.; Org. Biomol. Chem. 12 (2014) 33, 6406-6413, http://dx.
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