Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C3H7N6 +·C3H2NO2 −·H2O |
| M r | 229.22 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 100 |
| a, b, c (Å) | 4.6928 (6), 9.3881 (13), 22.918 (3) |
| β (°) | 91.646 (3) |
| V (Å3) | 1009.3 (2) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.12 |
| Crystal size (mm) | 0.44 × 0.17 × 0.04 |
| Data collection | |
| Diffractometer | Bruker APEX CCD |
| Absorption correction | Multi-scan (SADABS; Bruker, 2007 ▸) |
| T min, T max | 0.948, 0.995 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 12615, 2517, 1856 |
| R int | 0.058 |
| (sin θ/λ)max (Å−1) | 0.668 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.047, 0.126, 1.00 |
| No. of reflections | 2517 |
| No. of parameters | 172 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.28, −0.29 |