Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C8H8N6 |
| M r | 188.20 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 150 |
| a, b, c (Å) | 5.0618 (3), 14.6282 (8), 6.1294 (4) |
| β (°) | 106.321 (2) |
| V (Å3) | 435.56 (5) |
| Z | 2 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.10 |
| Crystal size (mm) | 0.35 × 0.10 × 0.03 |
| Data collection | |
| Diffractometer | Bruker D8 VENTURE |
| Absorption correction | Multi-scan (SADABS; Bruker, 2015 ▸) |
| T min, T max | 0.702, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 2614, 999, 903 |
| R int | 0.014 |
| (sin θ/λ)max (Å−1) | 0.650 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.042, 0.117, 1.12 |
| No. of reflections | 999 |
| No. of parameters | 68 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.31, −0.26 |