Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C10H4BrFO3 |
| M r | 271.04 |
| Crystal system, space group | Orthorhombic, P212121 |
| Temperature (K) | 100 |
| a, b, c () | 5.784(3), 33.713(14), 4.633(3) |
| V (3) | 903.4(8) |
| Z | 4 |
| Radiation type | Mo K |
| (mm1) | 4.56 |
| Crystal size (mm) | 0.30 0.25 0.10 |
| Data collection | |
| Diffractometer | Rigaku AFC7R diffractometer |
| Absorption correction | scan (North et al., 1968 ▸) |
| T min, T max | 0.388, 0.634 |
| No. of measured, independent and observed [F 2 > 2.0(F 2)] reflections | 1744, 1384, 1203 |
| R int | 0.033 |
| (sin /)max (1) | 0.650 |
| Refinement | |
| R[F 2 > 2(F 2)], wR(F 2), S | 0.046, 0.123, 1.12 |
| No. of reflections | 1384 |
| No. of parameters | 136 |
| H-atom treatment | H-atom parameters constrained |
| max, min (e 3) | 1.21, 1.53 |
| Absolute structure | Flack (1983 ▸), 110 Friedel pairs |
| Absolute structure parameter | 0.02(3) |