Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C6H9N2+·C9H8NO3−·2(H2O) |
| M r | 323.35 |
| Crystal system, space group | Orthorhombic, Pbca |
| Temperature (K) | 298 |
| a, b, c (Å) | 15.137 (3), 7.3028 (14), 30.583 (6) |
| V (Å3) | 3380.7 (11) |
| Z | 8 |
| Radiation type | Cu Kα |
| μ (mm−1) | 0.81 |
| Crystal size (mm) | 0.35 × 0.24 × 0.22 |
| Data collection | |
| Diffractometer | Bruker D8 Venture Diffractometer |
| Absorption correction | Multi-scan (SADABS; Krause et al., 2015 ▸) |
| Tmin, Tmax | 0.547, 0.753 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 24560, 3208, 2918 |
| R int | 0.051 |
| (sin θ/λ)max (Å−1) | 0.610 |
| Refinement | |
| R[F2 > 2σ(F2)], wR(F2), S | 0.053, 0.153, 1.09 |
| No. of reflections | 3208 |
| No. of parameters | 234 |
| No. of restraints | 8 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.20, −0.20 |