| Crystal data |
| Chemical formula |
C13H18N2OS |
|
M
r
|
250.35 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
293 |
|
a, b, c (Å) |
6.1050 (4), 10.7020 (3), 11.8910 (3) |
| α, β, γ (°) |
63.290 (4), 81.600 (3), 84.340 (4) |
|
V (Å3) |
686.08 (6) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.22 |
| Crystal size (mm) |
0.50 × 0.48 × 0.16 |
| |
| Data collection |
| Diffractometer |
Oxford Diffraction Xcalibur with Sapphire CCD Detector |
| Absorption correction |
Multi-scan (CrysAlis RED; Oxford Diffraction, 2009 ▸) |
|
Tmin, Tmax
|
0.897, 0.965 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
4335, 2756, 2287 |
|
R
int
|
0.010 |
| (sin θ/λ)max (Å−1) |
0.625 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.064, 0.164, 1.16 |
| No. of reflections |
2756 |
| No. of parameters |
160 |
| No. of restraints |
3 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.71, −0.24 |
