Structures of Two Chalcones Derived from 1-(1,3-Benzodioxol-5-yl)ethanone

抄録

The compound, (2E)-1-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)prop-2-en-1-one (I), C₁₆H₁₁ClO₃, crystallizes in the monoclinic crystal system with space group P2₁/c and cell constants: a = 22.7231(15), b = 4.9239(4), c = 11.9995(7)Å, β = 99.953(6)°, V = 1322.37(16)ų, Z = 4. (2E)-1-(1,3-Benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one (II), C₁₈H₁₆O₅, crystallizes in the triclinic crystal system, space group P1 with a = 8.2961(2), b = 13.8829(6), c = 14.6713(7)Å, α = 64.185(4), β = 83.560(3). γ = 84.966(3)°, V = 1510.10(10)ų, Z = 4. Hydrogen bonding and crystal packing effects influence the twist angle between the mean planes of the 1,3-benzodioxol-5-yl and benzene groups in both I and II, while π-π stacking interactions help to stabilize the crystal packing.