| Crystal data |
| Chemical formula |
C16H13Cl2N3O3S2
|
|
M
r
|
430.31 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
8.2706 (4), 8.7726 (4), 13.6433 (7) |
| α, β, γ (°) |
76.091 (2), 74.610 (2), 87.970 (2) |
|
V (Å3) |
925.98 (8) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.60 |
| Crystal size (mm) |
0.99 × 0.68 × 0.52 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2007 ▸) |
|
T
min, T
max
|
0.60, 0.75 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
19595, 4598, 4134 |
|
R
int
|
0.024 |
| (sin θ/λ)max (Å−1) |
0.668 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.056, 0.155, 1.03 |
| No. of reflections |
4598 |
| No. of parameters |
216 |
| No. of restraints |
14 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
1.20, −0.82 |
