| Crystal data |
| Chemical formula |
C18H14N2O3S |
|
M
r
|
338.37 |
| Crystal system, space group |
Orthorhombic, P
b
c
a
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
7.3003 (1), 18.9557 (3), 21.9045 (3) |
|
V (Å3) |
3031.19 (8) |
|
Z
|
8 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
2.07 |
| Crystal size (mm) |
0.18 × 0.12 × 0.08 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Dualflex, Pilatus 200K |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2018 ▸) |
|
T
min, T
max
|
0.869, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
18022, 3013, 2816 |
|
R
int
|
0.034 |
| (sin θ/λ)max (Å−1) |
0.624 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.048, 0.144, 1.13 |
| No. of reflections |
3013 |
| No. of parameters |
218 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.67, −0.64 |
