Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C8H9NO |
| M r | 135.16 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 100 |
| a, b, c (Å) | 17.635 (5), 7.817 (2), 16.718 (4) |
| β (°) | 110.639 (9) |
| V (Å3) | 2156.8 (10) |
| Z | 12 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.08 |
| Crystal size (mm) | 0.58 × 0.30 × 0.28 |
| Data collection | |
| Diffractometer | Bruker X8 APEXII 4K Kappa CCD |
| Absorption correction | Multi-scan SADABS (Krause et al., 2015 ▸) |
| T min, T max | 0.970, 0.977 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 33879, 5192, 3575 |
| R int | 0.046 |
| (sin θ/λ)max (Å−1) | 0.660 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.039, 0.104, 1.03 |
| No. of reflections | 5192 |
| No. of parameters | 287 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.17, −0.13 |