Table 2. Experimental details.
| Crystal data | |
| Chemical formula | [Na(C22H19N4O4S)(C2H3N)] |
| M r | 499.52 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 173 |
| a, b, c (Å) | 10.4951 (4), 14.1401 (5), 16.9249 (6) |
| β (°) | 106.378 (8) |
| V (Å3) | 2409.77 (18) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.19 |
| Crystal size (mm) | 0.25 × 0.20 × 0.15 |
| Data collection | |
| Diffractometer | Rigaku R-AXIS RAPID |
| Absorption correction | Multi-scan (ABSCOR; Higashi, 1995 ▸) |
| T min, T max | 0.867, 0.971 |
| No. of measured, independent and observed [F 2 > 2.0σ(F 2)] reflections | 23162, 5490, 4023 |
| R int | 0.042 |
| (sin θ/λ)max (Å−1) | 0.648 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.044, 0.103, 1.01 |
| No. of reflections | 5490 |
| No. of parameters | 321 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.32, −0.30 |