| Crystal data |
| Chemical formula |
C4H8O4S2
|
C4H8O4S2
|
|
M
r
|
184.22 |
184.22 |
| Crystal system, space group |
Monoclinic, C2/m
|
Monoclinic, P21/n
|
| Temperature (K) |
233 |
150 |
|
a, b, c (Å) |
9.073 (8), 7.077 (6), 5.597 (5) |
7.1308 (5), 5.7245 (4), 8.3760 (6) |
| β (°) |
105.894 (10) |
91.138 (2) |
|
V (Å3) |
345.6 (5) |
341.84 (4) |
|
Z
|
2 |
2 |
| Radiation type |
Mo Kα |
Synchrotron, λ = 0.7288 Å |
| μ (mm−1) |
0.72 |
0.78 |
| Crystal size (mm) |
0.43 × 0.35 × 0.35 |
0.04 × 0.03 × 0.02 |
| |
| Data collection |
| Diffractometer |
APEXII CCD |
Bruker D8 Photon-2 |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.747, 0.787 |
0.811, 0.862 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
433, 433, 428 |
14904, 1041, 957 |
|
R
int
|
– |
0.036 |
| (sin θ/λ)max (Å−1) |
0.652 |
0.714 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.023, 0.067, 1.19 |
0.028, 0.065, 1.11 |
| No. of reflections |
433 |
1041 |
| No. of parameters |
37 |
62 |
| H-atom treatment |
All H-atom parameters refined |
All H-atom parameters refined |
| Δρmax, Δρmin (e Å−3) |
0.32, −0.32 |
0.39, −0.44 |
