| Crystal data |
| Chemical formula |
C10H13NOS |
|
M
r
|
195.27 |
| Crystal system, space group |
Monoclinic, P21/c
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
14.3999 (5), 7.0388 (3), 19.9725 (7) |
| β (°) |
91.727 (3) |
|
V (Å3) |
2023.45 (13) |
|
Z
|
8 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.28 |
| Crystal size (mm) |
0.20 × 0.20 × 0.05 |
| |
| Data collection |
| Diffractometer |
Agilent SuperNova, Dual, Mo at zero, Atlas |
| Absorption correction |
Multi-scan (CrysAlis PRO; Agilent, 2011 ▸) |
|
T
min, T
max
|
0.662, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
15588, 4577, 3514 |
|
R
int
|
0.040 |
| (sin θ/λ)max (Å−1) |
0.651 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.047, 0.125, 1.03 |
| No. of reflections |
4577 |
| No. of parameters |
245 |
| No. of restraints |
2 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.72, −0.24 |
