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An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
The title compound, (2E)-1-(2,5-dimethyl-3-thienyl)3-(4-nitrophenyl)propenone (3) was synthesized in high yield by reaction of 3-acetyl-2,5-dimethythiophene and 4-nitrobenzaldehyde in the presence of sodium hydroxide. The structure of the compound was fully characterized by IR, 1H NMR, 13C NMR, GC-MS spectral analysis and elemental analysis.
Abstract C 18 H 23 NO, triclinic, P 1̄ (no. 2), a = 6.0033(3) Å, b = 11.5667(7) Å, c = 23.5556(12) Å, α = 77.121(5)°, β = 89.635(4)°, γ = 78.852(5)°, V = 1563.27(15) Å 3 , Z = 4, R gt ( F ) = 0.0630, wR ref ( F 2 ) = 0.1733, T = 296(2) K.