Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C15H14N3O3+·Br− |
| M r | 364.20 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 100 |
| a, b, c (Å) | 6.7708 (1), 17.2107 (2), 12.3465 (2) |
| β (°) | 98.184 (1) |
| V (Å3) | 1424.09 (4) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 2.90 |
| Crystal size (mm) | 0.32 × 0.19 × 0.13 |
| Data collection | |
| Diffractometer | Bruker SMARTAPEX2 CCD |
| Absorption correction | Multi-scan (SADABS; Krause et al., 2015 ▸) |
| Tmin, Tmax | 0.628, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 32857, 3555, 3006 |
| R int | 0.029 |
| (sin θ/λ)max (Å−1) | 0.669 |
| Refinement | |
| R[F2 > 2σ(F2)], wR(F2), S | 0.022, 0.057, 1.04 |
| No. of reflections | 3555 |
| No. of parameters | 202 |
| No. of restraints | 1 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.38, −0.31 |