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Cooperative C-H…O H-bonds in ''Bay Area'' and Crystal Structure of 1-(4-Methylphenyl)- 3-(4-methoxyphenyl)-2-propene-1-one
Abstract:The title compound (C17H16O2, Mr = 252.30) crystallizes in the monoclinic system,space group P21/c with a = 11.5763(14), b = 11.0321(11), c = 11.5094(13) (A),β = 114.581(3)°, V=1336.7(3) (A)3, Z = 4, Dc = 1.254 g/cm3, μ(MoKa) = 0.081 cm-1 and F(000) = 536.00. The final Rand wR are 0.0527 and 0.1285, respectively for 3058 observed reflections (I > 2σ(I)). In the title molecule, two phenyl rings are rotated oppositely with respect to the central part C(1)-C(2)=C(3)-C(4) (plane 3) and the dihedral angle between them is 14.8°. The phenone O(1) atom deviates from plane 3 by 0.291(A). In the crystal the molecules form H-bond chains of R21(6) and R21 (5) types similar crystals are also presented.
Keywords:4-methoxy-4'-methyl-chalcone  cooperative C-H…O hydrogen bonds  crystal structure  chalcone
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