Table 2.
Crystal data and structure refinement for 11.
| Formula | C19H17NO2 |
|---|---|
| Formula weight | 291.33 |
| Temperature | 120(2) K |
| Wavelength | 0.71073 Å |
| Crystal system | Monoclinic |
| Space group | P21/n |
| Unit cell dimensions | a = 6.887(4) Å, α = 90° |
| b = 16.134(11) Å, β = 99.81(2)° | |
| c = 13.620(8) Å, γ = 90° | |
| Volume | 1491.3(15) Å3 |
| Z | 4 |
| Density (calculated) | 1.298 g/cm3 |
| Absorption coefficient | 0.084 mm−1 |
| F(000) | 616 |
| Crystal size | 0.240 × 0.200 × 0.180 mm |
| Theta range for data collection | 1.974 to 25.074° |
| Index ranges | −8 ≤ h ≤ 8, −19 ≤ k ≤ 19, −16 ≤ l ≤16 |
| Reflections collected | 14255 |
| Independent reflections | 2635 [R(int) = 0.1005] |
| Completeness to θ | 25.074° (99.7%) |
| Absorption correction | Semi-empirical from equivalents |
| Refinement method | Full-matrix least-squares on F2 |
| Data/restraints/parameters | 2635/0/201 |
| Goodness-of-fit on F2 | 1.065 |
| Final R indices [I > 2σ(I)] | R1 = 0.0586, wR2 = 0.1246 |
| R indices (all data) | R1 = 0.1246, wR2 = 0.1506 |
| Largest diff. peak and hole | 0.196 and −0.228 e.Å−3 |