| Crystal data |
| Chemical formula |
C4H8O4S2
|
|
M
r
|
184.22 |
| Crystal system, space group |
Monoclinic, P
n
|
| Temperature (K) |
120 |
|
a, b, c (Å) |
4.9472 (5), 9.9021 (10), 7.1002 (7) |
| β (°) |
91.464 (3) |
|
V (Å3) |
347.71 (6) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.72 |
| Crystal size (mm) |
0.54 × 0.11 × 0.05 |
| |
| Data collection |
| Diffractometer |
Bruker PHOTON-II |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.579, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
6109, 1513, 1473 |
|
R
int
|
0.039 |
| (sin θ/λ)max (Å−1) |
0.640 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.027, 0.055, 1.15 |
| No. of reflections |
1513 |
| No. of parameters |
123 |
| No. of restraints |
2 |
| H-atom treatment |
All H-atom parameters refined |
| Δρmax, Δρmin (e Å−3) |
0.28, −0.40 |
| Absolute structure |
Flack x determined using 682 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸). |
| Absolute structure parameter |
0.07 (4) |
