| Crystal data |
| Chemical formula |
C25H17N3O5S2
|
|
M
r
|
503.53 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
7.4542 (1), 9.5111 (2), 16.4378 (3) |
| α, β, γ (°) |
88.838 (4), 81.644 (1), 81.414 (1) |
|
V (Å3) |
1140.11 (4) |
|
Z
|
2 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
2.50 |
| Crystal size (mm) |
0.29 × 0.22 × 0.15 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Dualflex, HyPix |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2021 ▸) |
|
T
min, T
max
|
0.481, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
29936, 4841, 4675 |
|
R
int
|
0.051 |
| (sin θ/λ)max (Å−1) |
0.634 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.036, 0.095, 1.08 |
| No. of reflections |
4841 |
| No. of parameters |
316 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.76, −0.60 |
