| Crystal data |
| Chemical formula |
C15H12F3NO4S |
|
M
r
|
359.32 |
| Crystal system, space group |
Monoclinic, P21/c
|
| Temperature (K) |
193 |
|
a, b, c (Å) |
13.5689 (16), 9.2906 (8), 13.4358 (15) |
| β (°) |
118.530 (15) |
|
V (Å3) |
1488.1 (3) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.27 |
| Crystal size (mm) |
0.25 × 0.10 × 0.08 |
| |
| Data collection |
| Diffractometer |
Xcalibur, Ruby, Gemini ultra |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2020 ▸) |
|
T
min, T
max
|
0.925, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
9962, 3275, 2667 |
|
R
int
|
0.036 |
| (sin θ/λ)max (Å−1) |
0.641 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.038, 0.097, 1.02 |
| No. of reflections |
3275 |
| No. of parameters |
231 |
| H-atom treatment |
Only H-atom displacement parameters refined |
| Δρmax, Δρmin (e Å−3) |
0.31, −0.35 |
