| Crystal data |
| Chemical formula |
C22H19F4NO4
|
C25H22F3NO5
|
|
M
r
|
437.38 |
473.43 |
| Crystal system, space group |
Monoclinic, P21/c
|
Orthorhombic, P
b
c
a
|
| Temperature (K) |
100 |
100 |
|
a, b, c (Å) |
8.0173 (8), 24.900 (2), 10.2186 (9) |
19.2990 (7), 9.5345 (3), 24.2188 (7) |
| α, β, γ (°) |
90, 96.738 (2), 90 |
90, 90, 90 |
|
V (Å3) |
2025.9 (3) |
4456.4 (2) |
|
Z
|
4 |
8 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.12 |
0.12 |
| Crystal size (mm) |
0.3 × 0.2 × 0.2 |
0.35 × 0.25 × 0.2 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2009 ▸) |
Multi-scan (SADABS; Bruker, 2012 ▸) |
|
T
min, T
max
|
0.589, 0.746 |
0.609, 0.745 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
16716, 4139, 3698 |
36729, 3939, 3383 |
|
R
int
|
0.022 |
0.033 |
| (sin θ/λ)max (Å−1) |
0.625 |
0.595 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.034, 0.084, 1.03 |
0.035, 0.086, 1.05 |
| No. of reflections |
4139 |
3939 |
| No. of parameters |
287 |
324 |
| No. of restraints |
0 |
30 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.31, −0.32 |
0.27, −0.36 |
