| Crystal data |
| Chemical formula |
C9H8N2O2S3
|
|
M
r
|
272.35 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
9.6205 (3), 10.8252 (3), 11.5073 (3) |
| α, β, γ (°) |
97.836 (2), 102.720 (2), 95.047 (2) |
|
V (Å3) |
1149.42 (6) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.63 |
| Crystal size (mm) |
0.22 × 0.07 × 0.04 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2014 ▸) |
|
T
min, T
max
|
0.691, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
37647, 6098, 4985 |
|
R
int
|
0.042 |
| (sin θ/λ)max (Å−1) |
0.682 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.032, 0.077, 1.03 |
| No. of reflections |
6098 |
| No. of parameters |
323 |
| No. of restraints |
40 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.38, −0.25 |
