Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C6H7N2O2·Cl·H2O |
| M r | 192.60 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 100 |
| a, b, c (Å) | 6.3070 (7), 14.9614 (18), 8.9198 (11) |
| β (°) | 93.457 (1) |
| V (Å3) | 840.15 (17) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.42 |
| Crystal size (mm) | 0.11 × 0.04 × 0.03 |
| Data collection | |
| Diffractometer | Rigaku Mercury CCD |
| Absorption correction | – |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 3102, 3102, 2789 |
| R int | ? |
| (sin θ/λ)max (Å−1) | 0.651 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.072, 0.159, 1.22 |
| No. of reflections | 3102 |
| No. of parameters | 131 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.57, −0.40 |