Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C13H10BrN3O2H2O |
| M r | 338.17 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 296 |
| a, b, c () | 8.1623(7), 12.5953(9), 13.2510(8) |
| () | 90.226(3) |
| V (3) | 1362.28(17) |
| Z | 4 |
| Radiation type | Mo K |
| (mm1) | 3.03 |
| Crystal size (mm) | 0.42 0.12 0.11 |
| Data collection | |
| Diffractometer | Bruker Kappa APEXII CCD |
| Absorption correction | Multi-scan (SADABS; Bruker, 2004 ▸) |
| T min, T max | 0.349, 0.356 |
| No. of measured, independent and observed [I > 2(I)] reflections | 7570, 3331, 2233 |
| R int | 0.028 |
| (sin /)max (1) | 0.668 |
| Refinement | |
| R[F 2 > 2(F 2)], wR(F 2), S | 0.036, 0.102, 0.99 |
| No. of reflections | 3331 |
| No. of parameters | 198 |
| No. of restraints | 5 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| max, min (e 3) | 0.46, 0.35 |