| Crystal data |
| Chemical formula |
C23H20N2O4S |
|
M
r
|
420.47 |
| Crystal system, space group |
Tetragonal, P
 21
c
|
| Temperature (K) |
100 |
|
a, c (Å) |
21.8333 (2), 8.67551 (17) |
|
V (Å3) |
4135.54 (11) |
|
Z
|
8 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
1.67 |
| Crystal size (mm) |
0.2 × 0.2 × 0.1 |
| |
| Data collection |
| Diffractometer |
Oxford Diffraction Xcalibur, Atlas, Nova |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2015 ▸) |
|
T
min, T
max
|
0.631, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
22380, 4067, 3766 |
|
R
int
|
0.050 |
| (sin θ/λ)max (Å−1) |
0.629 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.029, 0.072, 1.04 |
| No. of reflections |
4067 |
| No. of parameters |
283 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.14, −0.21 |
| Absolute structure |
Flack x determined using 1455 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
−0.001 (9) |
