Table 3. Experimental details.
| Crystal data | |
| Chemical formula | C14H8Br3N3O2 |
| M r | 489.96 |
| Crystal system, space group | Orthorhombic, P b c a |
| Temperature (K) | 100 |
| a, b, c (Å) | 6.6579 (1), 15.7683 (3), 29.0301 (6) |
| V (Å3) | 3047.69 (10) |
| Z | 8 |
| Radiation type | Mo Kα |
| μ (mm−1) | 7.95 |
| Crystal size (mm) | 0.34 × 0.06 × 0.05 |
| Data collection | |
| Diffractometer | Bruker AXS D8 QUEST, Photon III detector |
| Absorption correction | Multi-scan (SADABS; Krause et al., 2015 ▸). |
| T min, T max | 0.020, 0.058 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 67179, 5538, 4620 |
| R int | 0.033 |
| (sin θ/λ)max (Å−1) | 0.758 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.024, 0.064, 1.05 |
| No. of reflections | 5538 |
| No. of parameters | 199 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.68, −0.52 |