| Crystal data |
| Chemical formula |
C22H13F6NOS |
C22H19NOS |
|
M
r
|
453.39 |
345.44 |
| Crystal system, space group |
Monoclinic, P21/c
|
Monoclinic, C2/c
|
| Temperature (K) |
298 |
298 |
|
a, b, c (Å) |
16.602 (6), 15.546 (6), 7.915 (3) |
24.821 (7), 12.151 (3), 26.219 (7) |
| β (°) |
99.344 (8) |
112.470 (4) |
|
V (Å3) |
2015.8 (13) |
7307 (3) |
|
Z
|
4 |
16 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.23 |
0.19 |
| Crystal size (mm) |
0.10 × 0.03 × 0.02 |
0.29 × 0.28 × 0.2 |
| |
| Data collection |
| Diffractometer |
Bruker SMART CCD |
Bruker SMART CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2001 ▸) |
Multi-scan (SADABS; Bruker, 2001 ▸) |
|
T
min, T
max
|
0.738, 0.9 |
0.100, 0.85 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
17435, 4882, 1964 |
26265, 8985, 5453 |
|
R
int
|
0.062 |
0.046 |
| (sin θ/λ)max (Å−1) |
0.663 |
0.668 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.111, 0.329, 0.91 |
0.058, 0.174, 0.96 |
| No. of reflections |
4882 |
8985 |
| No. of parameters |
337 |
455 |
| No. of restraints |
72 |
0 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.64, −0.49 |
0.32, −0.33 |
