Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C11H10N4 |
| M r | 198.23 |
| Crystal system, space group | Monoclinic, P2/n |
| Temperature (K) | 200 |
| a, b, c (Å) | 13.2798 (8), 5.9792 (3), 13.4130 (9) |
| β (°) | 113.046 (7) |
| V (Å3) | 980.03 (11) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.09 |
| Crystal size (mm) | 0.20 × 0.15 × 0.15 |
| Data collection | |
| Diffractometer | Stoe IPDS1 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 8233, 2137, 1731 |
| R int | 0.073 |
| (sin θ/λ)max (Å−1) | 0.639 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.039, 0.113, 1.04 |
| No. of reflections | 2137 |
| No. of parameters | 145 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.21, −0.18 |