| Crystal data |
| Chemical formula |
C14H13NOS |
|
M
r
|
243.31 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
293 |
|
a, b, c (Å) |
5.6768 (3), 12.0747 (6), 18.1912 (9) |
| α, β, γ (°) |
87.071 (4), 82.110 (4), 81.110 (4) |
|
V (Å3) |
1219.72 (11) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.25 |
| Crystal size (mm) |
0.54 × 0.17 × 0.09 |
| |
| Data collection |
| Diffractometer |
Agilent SuperNova, Dual, Cu at home/near, Atlas |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2023 ▸) |
|
T
min, T
max
|
0.662, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
7742, 7742, 5708 |
|
R
int
|
0.040 |
| (sin θ/λ)max (Å−1) |
0.697 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.058, 0.162, 1.03 |
| No. of reflections |
7742 |
| No. of parameters |
314 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.23, −0.23 |
