Abstract
The title compound, 8-bromo-7-isopropoxyisoflavone (bromoipriflavone), C18H15O3Br, crystallizes in tetragonal crystal system, space group I41/a with cell constants a = 21.396(2) Å, c = 13.588(2) Å, V = 6220.2(14) Å3 and Z = 16. Bromoipriflavone is composed of a benzopyranone moiety, a phenyl moiety, an isopropoxy group and a bromine atom. The benzopyranone ring is not coplanar with the phenyl ring with a dihedral angle of 55.1∘. The molecules are stacked into a C(4) helices down [001] via π–π stacking and hydrogen bonds, the C(4) helices are assembled into three-dimensional network via strong Br⋅sBr interactions and synthons R 24 (10) formed by two tri-centered C–H⋅sO hydrogen bonds, resulting in a distinctive high-symmetry supramolecule. The title compound was also characterized by IR and 1H NMR.
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Zhang, ZT., Wang, XB. & Yu, KB. C(4) helices, Br⋅sBr interaction and R 24 (10) ring in bromoipriflavone. J Chem Crystallogr 35, 101–105 (2005). https://doi.org/10.1007/s10870-005-2797-0
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DOI: https://doi.org/10.1007/s10870-005-2797-0