Table 5. Experimental details.
| Crystal data | |
| Chemical formula | C12H10N4O |
| M r | 226.24 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 293 |
| a, b, c (Å) | 11.8533 (5), 6.8299 (3), 14.7329 (6) |
| β (°) | 107.477 (1) |
| V (Å3) | 1137.67 (8) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.09 |
| Crystal size (mm) | 0.44 × 0.27 × 0.12 |
| Data collection | |
| Diffractometer | Bruker APEXII CCD |
| Absorption correction | Multi-scan (SADABS; Sheldrick, 1996 ▸) |
| T min, T max | 0.726, 0.745 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 30812, 2333, 2083 |
| R int | 0.023 |
| (sin θ/λ)max (Å−1) | 0.625 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.044, 0.126, 1.10 |
| No. of reflections | 2333 |
| No. of parameters | 156 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.21, −0.20 |