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(E)-3-(3,5-Dimeth-oxy-phen-yl)-1-(1-hy-droxy-naphthalen-2-yl)prop-2-en-1-one.

ABSTRACT: In the title mol-ecule, C21H18O4, the C=C bond of the central enone group adopts a trans conformation. The dihedral angle formed by the naphthalene ring system and the benzene ring is 2.97 (11)°. The hy-droxy group is involved in an intra-molecular O-H⋯O hydrogen bond. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into chains along [001].

SUBMITTER: Lee HJ

PROVIDER: S-EPMC3588993 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-(2-Hy-droxy-3,5-dimeth-oxy-phen-yl)ethanone.

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Project description:In the title compound, C(17)H(27)NO(4), which is an hydro-sinapic acid derivative with increased lipophilicity conferred by an additional alkyl chain, the central and the hexyl linear chains contain slightly shorter bond lengths [C-N = 1.316?(2)?Å; average linear chain C-C = 1.487?(6)?Å] than reported average values [Csp(2)-N = 1.334, C-C for CH(2)-CH(2) = 1.524 and 1.513?Å for CH(2)-CH(3)]. The 4-hy-droxy-3,5-dimeth-oxy-phenyl plane [r.m.s. deviation 0.055?(12)?Å] makes an angle of 59.89?(5)° with the central plane of the mol-ecule (composed of the N atom, the carbonyl group and the two methyl-ene C atoms linking the carbonyl group and the ring, [r.m.s. deviation 0.0026?(10)?Å], which, in turn, makes an angle of 64.24?(13)° with the essentially planar hexyl chain [r.m.s. deviation 0.035?(18)?Å]. The N-H group of the amide group is involved in a bifurcated hydrogen bond towards the hy-droxy and one of the meth-oxy O atoms of the 4-hy-droxy-3,5-dimeth-oxy-phenyl substituent of a neighbouring mol-ecule, forming a two-dimensional network in the (100) plane. In addition, the same hy-droxy group acts as a donor towards the carbonyl O atom of another neighbouring mol-ecule, forming chains running along the b axis.

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(E)-1-(2-Hy-droxy-4,6-dimeth-oxy-phen-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one from Kaempferia rotunda Val.

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(E)-3-(4-Hy-droxy-3-meth-oxy-phen-yl)-1-(4-hy-droxy-phen-yl)prop-2-en-1-one.

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3-Hy-droxy-2-[(4-hy-droxy-3,5-dimeth-oxy-phen-yl)(2-hy-droxy-4,4-dimethyl-6-oxo-cyclo-hex-1-en-1-yl)meth-yl]-5,5-dimethyl-cyclo-hex-2-en-1-one.

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(2E)-3-(3,4-Dimeth-oxy-phen-yl)-1-(4-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(17)H(16)O(4), the dihedral angle between the mean planes of the hy-droxy-phenyl and dimeth-oxy-phenyl rings is 19.34?(7)°. The mean plane of the prop-2-en-1-one group, the active site in this mol-ecule, makes angles of 7.40?(8) and 13.25?(8)°, respectively, with the hy-droxy-phenyl and dimeth-oxy-phenyl rings. The crystal packing is stabilized by O-H?O hydrogen bonds, weak inter-molecular C-H?O and ?-? stacking inter-actions [centroid-centroid distance = 3.7386?(9)?Å].

| S-EPMC3099842 | biostudies-other

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