| Crystal data |
| Chemical formula |
C5H3ClO2S·C13H9N |
|
M
r
|
341.80 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
293 |
|
a, b, c (Å) |
7.3371 (4), 8.3286 (5), 13.3819 (8) |
| α, β, γ (°) |
107.577 (5), 97.706 (5), 93.953 (5) |
|
V (Å3) |
767.32 (8) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.39 |
| Crystal size (mm) |
0.60 × 0.30 × 0.10 |
| |
| Data collection |
| Diffractometer |
Agilent SuperNova Dual Source diffractometer with an Atlas detector |
| Absorption correction |
Multi-scan (CrysAlis PRO; Agilent, 2013 ▸) |
|
T
min, T
max
|
0.813, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
7182, 3516, 2722 |
|
R
int
|
0.022 |
| (sin θ/λ)max (Å−1) |
0.649 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.038, 0.109, 1.02 |
| No. of reflections |
3516 |
| No. of parameters |
209 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.21, −0.23 |
