| Crystal data |
| Chemical formula |
C19H14ClN3OS |
|
M
r
|
367.84 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
5.6138 (18), 9.018 (2), 16.514 (5) |
| α, β, γ (°) |
80.533 (13), 87.519 (14), 83.353 (14) |
|
V (Å3) |
818.9 (4) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.37 |
| Crystal size (mm) |
0.20 × 0.15 × 0.10 |
| |
| Data collection |
| Diffractometer |
Bruker SMART CCD area-detector |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2012 ▸) |
|
T
min, T
max
|
0.941, 0.971 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
12059, 2966, 2530 |
|
R
int
|
0.059 |
| (sin θ/λ)max (Å−1) |
0.606 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.042, 0.110, 1.05 |
| No. of reflections |
2966 |
| No. of parameters |
228 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.40, −0.26 |