| Crystal data |
| Chemical formula |
C13H6Cl4OS |
|
M
r
|
352.04 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
294 |
|
a, b, c (Å) |
3.9867 (3), 13.4564 (11), 25.573 (2) |
|
V (Å3) |
1371.91 (19) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
1.00 |
| Crystal size (mm) |
0.63 × 0.23 × 0.11 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2007 ▸) |
|
T
min, T
max
|
0.757, 0.894 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
11402, 4226, 3425 |
|
R
int
|
0.026 |
| (sin θ/λ)max (Å−1) |
0.720 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.038, 0.102, 1.03 |
| No. of reflections |
4226 |
| No. of parameters |
172 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.25, −0.20 |
| Absolute structure |
Flack x determined using 1124 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.04 (5) |
