Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 8 (August 2013)


organic compounds



su2620 scheme

Acta Cryst. (2013). E69, o1257-o1258    [ doi:10.1107/S1600536813018904 ]

Allyl 2-(2,2-dimethyl-3a,6a-dihydrofuro[3,2-d][1,3]dioxol-5-yl)-4-oxo-4H-chromene-3-carboxylate

Z. Fatima, T. Srinivasan, J. N. S. Rao, R. Raghunathan and D. Velmurugan

Abstract: In the title compound, C20H18O7, the dioxolane ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap, and its mean plane makes a dihedral angle of 73.25 (2)° with the pyran ring mean plane. The furan ring makes dihedral angles of 67.43 (12) and 6.20 (11)° with the mean plane of the dioxolane and pyran rings, respectively. The O atom attached to the pyran ring deviates by 0.0219 (2) Å from its mean plane. In the crystal, molecules are linked via C-H...O hydrogen bonds, forming chains along [010] and enclosing R22(9) loops. They stack along the a axis with [pi]-[pi] interactions involving the 4H-chromene units [centroid-centroid distances of 3.6389 (13) and 3.6555 (13) Å]. The terminal CH2=CH- atoms of the allyl acetate group are disordered over two sets of sites with a refined occupancy ratio of 0.717 (6):0.283 (6).


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