Table S1.
Single-crystal X-ray data of the title compound and the refinement parameters.
| Crystal data | |
|---|---|
| CCDC deposition number | 2082426 |
| Chemical formula | C19H21N3O3 |
| Formula weight | 339.39 |
| Temperature (K) | 296 |
| Wavelength (Å) | 0.71073 |
| Crystal system | Monoclinic |
| Space group | P21/n |
| Unit cell parameters | |
| a≠b≠c (Å) | 10.1685(16), 13.3628(15), 13.416(2) |
| α=γ≠β (°) | 90.00, 90.00, 107.854 (12) |
| Crystal size (mm) | 0.71 × 0.48 × 0.24 |
| Z | 4 |
| Volume, V (Å3) | 1735.2(4) |
| μ (mm−1) | 0.09 |
| F (000) | 720 |
| θ min-max (°) | 12.6–35.1 |
| Calculated density (Mgm−3) | 1.299 |
| Color and shape | Yellow, prism |
| Data collection | |
| Diffractometer | STOE IPDS 2 |
| θ min-max for data collection (°) | 2.6–26.0 |
| Index ranges; h, k, l | −10→12, −13→16, −16→16 |
| Measurement method | Scans |
| Reflections collected | 9358 |
| Independent reflections | 3398 |
| Reflections with I> 2σ(I) | 2080 |
| Absorption correction | Integration ((X-RED32; Stoe and Cie, 2002) |
| Tmin-max | 0.948–0.979 |
| Rint | 0.049 |
| Refinement | |
| Refinement method | Full matrix least squares on F2 |
| Parameters | 227 |
| R [F2 > 2σ(F2)] | 0.041 |
| wR(F2) | 0.094 |
| GooF=S | 0.91 |
| Δρmin-max (e Å−3) | −0.13, 0.14 |
| w = 1/[σ2(Fo2) + (0.0638P)2 + 0.3411P], where P = (Fo2 + 2Fc2)/3, (Δ/σ)max < 0.001, | |
| Extinction correction: SHELXL-2014/7 (Sheldrick 2014). | |