(E)-3-Dimethylamino-1-(2-thienyl)prop-2-en-1-one

The molecular skeleton of the title molecule, C9H11NOS, is essentially planar: the thiophene ring is inclined to the mean plane of the rest non-H atoms by 2.92 (3)°. The crystal packing exhibits no significantly short intermolecular contacts.

The molecular skeleton of the title molecule, C 9 H 11 NOS, is essentially planar: the thiophene ring is inclined to the mean plane of the rest non-H atoms by 2.92 (3) . The crystal packing exhibits no significantly short intermolecular contacts.
In (I) (Fig. 1), the dihedral angle between the thiophene ring and the mean plane of the restnon-hydrogen atoms is 2.92 (3)°. The crystal packing exhibits no significantly short intermolecular contacts.

S2. Experimental
All solvents and chemicals were of analytical grade and were used without further purification. A solution of 2-acetylthiophene (0.2 mmol) and dimethoxy-N,N-dimethylmethanamine(0.2 mmol) in 150 ml DMF was refluxed for 8 h, and then concentrated to give the title compound. Single crystals suitable for X-ray analysis were grown from the methanol solution by slow evaporation at room temperature in air. Anal. Calcd.for C 9 H 11 NOS: C, 59.64; H, 6.12; N, 7.73. Found: C, 39.65; H,6.16; N, 7.71.

S3. Refinement
All hydrogen atoms were geometrically positioned (C-H 0.93-0.97 Å) and refined as riding, with U iso (H)=1.2-1.5 U eq of the parent atom.

Figure 1
Molecular structure of (I) showing the atomic numbering and 30% probabilty displacement ellipsoids. where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max < 0.001 Δρ max = 0.20 e Å −3 Δρ min = −0.29 e Å −3 Special details Experimental. The structure was solved by direct methods (Bruker, 2000) and successive difference Fourier syntheses. Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.