| Crystal data |
| Chemical formula |
C29H24N6O5S |
|
M
r
|
568.60 |
| Crystal system, space group |
Monoclinic, P21/c
|
| Temperature (K) |
293 |
|
a, b, c (Å) |
19.7610 (5), 5.8264 (2), 24.3643 (5) |
| β (°) |
94.711 (2) |
|
V (Å3) |
2795.72 (13) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.17 |
| Crystal size (mm) |
0.41 × 0.25 × 0.16 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Dualflex, HyPix |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2021 ▸) |
|
Tmin, Tmax
|
0.951, 0.974 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
94505, 7321, 3876 |
|
R
int
|
0.094 |
| (sin θ/λ)max (Å−1) |
0.695 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.052, 0.150, 1.04 |
| No. of reflections |
7321 |
| No. of parameters |
384 |
| No. of restraints |
1 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.21, −0.20 |
