Table 3. Experimental details.
| Crystal data | |
| Chemical formula | 2C18H19ClN4O·HCl |
| M r | 722.10 |
| Crystal system, space group | Tetragonal, I4/m |
| Temperature (K) | 100 |
| a, c (Å) | 17.305 (2), 26.040 (5) |
| V (Å3) | 7798 (3) |
| Z | 8 |
| Radiation type | Synchrotron, λ = 0.710757 Å |
| μ (mm−1) | 0.28 |
| Crystal size (mm) | 0.06 × 0.05 × 0.04 |
| Data collection | |
| Diffractometer | ADSC Quantum 210r |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 66433, 5901, 5096 |
| R int | 0.049 |
| (sin θ/λ)max (Å−1) | 0.741 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.049, 0.138, 1.03 |
| No. of reflections | 5901 |
| No. of parameters | 231 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.81, −0.49 |