Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C11H15N3OS |
| M r | 237.32 |
| Crystal system, space group | Triclinic, P
|
| Temperature (K) | 100 |
| a, b, c (Å) | 8.2799 (8), 8.9169 (9), 9.7451 (10) |
| α, β, γ (°) | 104.597 (3), 112.569 (3), 105.220 (3) |
| V (Å3) | 588.7 (1) |
| Z | 2 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.26 |
| Crystal size (mm) | 0.18 × 0.11 × 0.11 |
| Data collection | |
| Diffractometer | Bruker D8 Venture Photon 100 CMOS |
| Absorption correction | Multi-scan (SADABS; Bruker, 2014 ▸) |
| T min, T max | 0.638, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 17083, 2911, 2562 |
| R int | 0.043 |
| (sin θ/λ)max (Å−1) | 0.667 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.032, 0.082, 1.00 |
| No. of reflections | 2911 |
| No. of parameters | 156 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.29, −0.28 |