Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C13H8O3 |
| M r | 212.19 |
| Crystal system, space group | Triclinic, P
|
| Temperature (K) | 293 |
| a, b, c (Å) | 5.3695 (4), 9.5278 (8), 10.2972 (9) |
| α, β, γ (°) | 96.814 (7), 93.432 (7), 102.977 (7) |
| V (Å3) | 507.68 (8) |
| Z | 2 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.10 |
| Crystal size (mm) | 0.4 × 0.2 × 0.05 |
| Data collection | |
| Diffractometer | Rigaku Xcalibur Atlas Gemini ultra |
| Absorption correction | Multi-scan (CrysAlis PRO; Rigaku OD, 2015 ▸) |
| T min, T max | 0.720, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 7946, 2508, 1563 |
| R int | 0.033 |
| (sin θ/λ)max (Å−1) | 0.695 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.051, 0.147, 1.05 |
| No. of reflections | 2508 |
| No. of parameters | 149 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.21, −0.5 |