| Crystal data |
| Chemical formula |
C17H17F6N2O·C2Cl3O2
|
|
M
r
|
541.69 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
120 |
|
a, b, c (Å) |
6.8087 (2), 11.8568 (5), 15.2562 (6) |
| α, β, γ (°) |
67.473 (2), 81.663 (2), 89.824 (3) |
|
V (Å3) |
1123.77 (7) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.48 |
| Crystal size (mm) |
0.30 × 0.26 × 0.21 |
| |
| Data collection |
| Diffractometer |
Bruker–Nonius Roper CCD camera on κ-goniostat |
| Absorption correction |
Multi-scan (SADABS; Sheldrick, 2007 ▸) |
|
T
min, T
max
|
0.636, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
23628, 5114, 3880 |
|
R
int
|
0.055 |
| (sin θ/λ)max (Å−1) |
0.648 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.047, 0.133, 1.02 |
| No. of reflections |
5114 |
| No. of parameters |
307 |
| No. of restraints |
3 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.81, −0.59 |
