| Crystal data |
| Chemical formula |
C9H9ClN2OS |
|
M
r
|
228.69 |
| Crystal system, space group |
Orthorhombic, P21212 |
| Temperature (K) |
293 |
|
a, b, c (Å) |
10.090 (3), 24.830 (6), 4.079 (2) |
|
V (Å3) |
1021.9 (6) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.54 |
| Crystal size (mm) |
0.50 × 0.08 × 0.06 |
| |
| Data collection |
| Diffractometer |
Oxford Diffraction Xcalibur with Sapphire CCD |
| Absorption correction |
Multi-scan (CrysAlis RED; Oxford Diffraction, 2009 ▸) |
|
Tmin, Tmax
|
0.772, 0.968 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
2960, 1803, 1527 |
|
R
int
|
0.018 |
| (sin θ/λ)max (Å−1) |
0.613 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.060, 0.152, 1.26 |
| No. of reflections |
1803 |
| No. of parameters |
134 |
| No. of restraints |
2 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.63, −0.28 |
| Absolute structure |
Flack x determined using 495 quotients [(I+)−(I−)]/[(I+)+(I−)] (Parsons et al., 2013 ▸), 672 Friedel pairs |
| Absolute structure parameter |
0.54 (5) |
