| Crystal data |
| Chemical formula |
C22H16FNO2S2
|
C26H20FNO2S2
|
|
M
r
|
409.48 |
461.55 |
| Crystal system, space group |
Monoclinic, P21/c
|
Monoclinic, P21/c
|
| Temperature (K) |
297 |
297 |
|
a, b, c (Å) |
7.9588 (1), 25.9840 (4), 9.5178 (2) |
9.3517 (3), 31.7075 (11), 8.6063 (3) |
| β (°) |
96.853 (1) |
115.179 (2) |
|
V (Å3) |
1954.23 (6) |
2309.45 (14) |
|
Z
|
4 |
4 |
| Radiation type |
Cu Kα |
Cu Kα |
| μ (mm−1) |
2.70 |
2.35 |
| Crystal size (mm) |
0.15 × 0.10 × 0.08 |
0.11 × 0.07 × 0.02 |
| |
| Data collection |
| Diffractometer |
Bruker D8 Venture Diffractometer |
Bruker D8 Venture Diffractometer |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2016 ▸) |
Multi-scan (SADABS; Bruker, 2016 ▸) |
|
T
min, T
max
|
0.589, 0.753 |
0.604, 0.753 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
44325, 3597, 2964 |
39443, 4270, 2098 |
|
R
int
|
0.049 |
0.155 |
| (sin θ/λ)max (Å−1) |
0.604 |
0.605 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.042, 0.115, 1.03 |
0.066, 0.232, 1.00 |
| No. of reflections |
3597 |
4270 |
| No. of parameters |
272 |
291 |
| No. of restraints |
11 |
0 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.21, −0.28 |
0.33, −0.38 |
