Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C20H18N3O4 +·Cl−·2H2O |
| M r | 435.85 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 100 |
| a, b, c (Å) | 12.0401 (6), 15.4829 (7), 11.2543 (6) |
| β (°) | 105.7191 (17) |
| V (Å3) | 2019.52 (17) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.23 |
| Crystal size (mm) | 0.18 × 0.18 × 0.05 |
| Data collection | |
| Diffractometer | Bruker SMART APEXII area detector |
| Absorption correction | Multi-scan (SADABS; Krause et al., 2015 ▸) |
| T min, T max | 0.666, 0.744 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 59713, 4126, 3430 |
| R int | 0.082 |
| (sin θ/λ)max (Å−1) | 0.625 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.031, 0.077, 1.03 |
| No. of reflections | 4126 |
| No. of parameters | 284 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.33, −0.23 |