| Crystal data |
| Chemical formula |
C19H18ClN3O5S |
|
M
r
|
435.87 |
| Crystal system, space group |
Triclinic, P1 |
| Temperature (K) |
296 |
|
a, b, c (Å) |
9.0184 (6), 10.9980 (8), 11.2386 (8) |
| α, β, γ (°) |
63.426 (2), 74.414 (3), 78.144 (2) |
|
V (Å3) |
955.56 (12) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.35 |
| Crystal size (mm) |
0.39 × 0.27 × 0.06 |
| |
| Data collection |
| Diffractometer |
Rigaku R-AXIS RAPID |
| Absorption correction |
Multi-scan (ABSCOR; Higashi, 1995 ▸) |
|
T
min, T
max
|
0.868, 0.979 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
8375, 6267, 3981 |
|
R
int
|
0.043 |
| (sin θ/λ)max (Å−1) |
0.617 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.045, 0.149, 1.00 |
| No. of reflections |
6267 |
| No. of parameters |
524 |
| No. of restraints |
3 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.33, −0.48 |
| Absolute structure |
Flack (1983 ▸), 2519 Friedel pairs |
| Absolute structure parameter |
−0.07 (13) |
