| Crystal data |
| Chemical formula |
C26H19NO2S2
|
C25H19NO2S2
|
|
M
r
|
441.54 |
429.53 |
| Crystal system, space group |
Monoclinic, P21/n
|
Monoclinic, P21/c
|
| Temperature (K) |
298 |
298 |
|
a, b, c (Å) |
10.3378 (4), 19.4299 (7), 10.5128 (4) |
10.0085 (4), 8.6474 (3), 24.9024 (10) |
| β (°) |
91.666 (1) |
91.560 (2) |
|
V (Å3) |
2110.73 (14) |
2154.44 (14) |
|
Z
|
4 |
4 |
| Radiation type |
Mo Kα |
Cu Kα |
| μ (mm−1) |
0.28 |
2.41 |
| Crystal size (mm) |
0.28 × 0.21 × 0.11 |
0.55 × 0.16 × 0.09 |
| |
| Data collection |
| Diffractometer |
Bruker D8 VENTURE with PHOTON II detector |
Bruker D8 VENTURE with PHOTON II detector |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.913, 0.952 |
0.473, 0.752 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
102594, 6426, 5503 |
51958, 4099, 3475 |
|
R
int
|
0.049 |
0.062 |
| (sin θ/λ)max (Å−1) |
0.714 |
0.610 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.039, 0.107, 1.08 |
0.053, 0.176, 1.08 |
| No. of reflections |
6426 |
4099 |
| No. of parameters |
281 |
272 |
| No. of restraints |
0 |
79 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.28, −0.41 |
0.48, −0.44 |
