| Crystal data |
| Chemical formula |
C13H19N3OS |
|
M
r
|
265.37 |
| Crystal system, space group |
Monoclinic, P21
|
| Temperature (K) |
180 |
|
a, b, c (Å) |
8.5519 (2), 18.9335 (4), 8.9165 (3) |
| β (°) |
110.203 (3) |
|
V (Å3) |
1354.91 (7) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.23 |
| Crystal size (mm) |
0.25 × 0.21 × 0.18 |
| |
| Data collection |
| Diffractometer |
Agilent Xcalibur Eos Gemini ultra |
| Absorption correction |
Multi-scan (CrysAlis PRO; Agilent, 2014 ▸) |
|
T
min, T
max
|
0.939, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
15302, 6147, 5674 |
|
R
int
|
0.024 |
| (sin θ/λ)max (Å−1) |
0.692 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.033, 0.077, 1.04 |
| No. of reflections |
6147 |
| No. of parameters |
331 |
| No. of restraints |
1 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.22, −0.19 |
| Absolute structure |
Flack x determined using 2349 quotients [(I
+)−(I
-)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
−0.08 (3) |
