| Crystal data |
| Chemical formula |
C10H10Br2O5
|
|
M
r
|
370.00 |
| Crystal system, space group |
Monoclinic, P21/n
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
11.4047 (9), 7.1107 (3), 16.8997 (13) |
| β (°) |
107.009 (8) |
|
V (Å3) |
1310.54 (16) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
6.19 |
| Crystal size (mm) |
0.08 × 0.06 × 0.03 |
| |
| Data collection |
| Diffractometer |
SuperNova, Dualflex, AtlasS2 |
| Absorption correction |
Gaussian (CrysAlis PRO; Rigaku OD, 2022 ▸) |
|
T
min, T
max
|
0.749, 0.855 |
| No. of measured, independent and observed [I ≥ 2u(I)] reflections |
18764, 3245, 2254 |
|
R
int
|
0.084 |
| (sin θ/λ)max (Å−1) |
0.667 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.053, 0.123, 1.06 |
| No. of reflections |
3245 |
| No. of parameters |
218 |
| No. of restraints |
63 |
| H-atom treatment |
Only H-atom displacement parameters refined |
| Δρmax, Δρmin (e Å−3) |
1.25, −1.48 |
