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- W94391321 abstract "In the title compound, C13H17NO3·0.5H2O, a new caffeic acid amide derivative, the solvent water molecule lies on a twofold axis and the terminal ethyl group appears disordered with occupancy factors of 0.525 (6) and 0.475 (6). The benzene ring makes an angle of 17.3 (2)° with the C=C—C—O linker. The presence of an ethylenic spacer in the caffeic acid amide molecule allows the formation of a conjugated system, strongly stabilized through π-electron delocalization. The C=C double bond in the linker is trans, similar to those previously reported in caffeic esters. The crystal is stabilized by O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds. The molecules of the caffeic acid amide form a supermolecular planar structure through O—H⋯O hydrogen bonds between a hydroxy group of one caffeic acid molecule and a carbonyl O atom of another. These planes interact via C—H⋯O, O—H⋯O and N—H⋯O hydrogen bonds to form a three-dimensional network." @default.
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- W94391321 date "2012-02-17" @default.
- W94391321 modified "2023-09-27" @default.
- W94391321 title "(<i>E</i>)-<i>N</i>-Butyl-3-(3,4-dihydroxyphenyl)acrylamide hemihydrate" @default.
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- W94391321 doi "https://doi.org/10.1107/s1600536812005570" @default.
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