| Crystal data |
| Chemical formula |
C3HF3N2OS |
|
M
r
|
170.12 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
180 |
|
a, b, c (Å) |
10.8996 (7), 13.9700 (8), 14.1351 (9) |
| α, β, γ (°) |
63.253 (2), 71.160 (2), 67.954 (2) |
|
V (Å3) |
1750.38 (19) |
|
Z
|
12 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.54 |
| Crystal size (mm) |
0.32 × 0.29 × 0.28 |
| |
| Data collection |
| Diffractometer |
Bruker D8 Venture dual source |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.922, 0.971 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
52212, 8021, 6646 |
|
R
int
|
0.045 |
| (sin θ/λ)max (Å−1) |
0.650 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.037, 0.090, 1.02 |
| No. of reflections |
8021 |
| No. of parameters |
728 |
| No. of restraints |
273 |
| H-atom treatment |
Only H-atom coordinates refined |
| Δρmax, Δρmin (e Å−3) |
0.41, −0.31 |
