Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C13H11N3O·C7H6O2 |
| M r | 347.36 |
| Crystal system, space group | Orthorhombic, P b c a |
| Temperature (K) | 173 |
| a, b, c (Å) | 11.7044 (17), 7.8531 (10), 38.253 (5) |
| V (Å3) | 3516.1 (8) |
| Z | 8 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.09 |
| Crystal size (mm) | 0.30 × 0.22 × 0.16 |
| Data collection | |
| Diffractometer | Bruker D8 Venture Microfocus with Photon III CCD area-detector |
| Absorption correction | Multi-scan (SADABS; Krause et al., 2015 ▸) |
| T min, T max | 0.709, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 73794, 4239, 3902 |
| R int | 0.036 |
| (sin θ/λ)max (Å−1) | 0.660 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.054, 0.112, 1.18 |
| No. of reflections | 4239 |
| No. of parameters | 243 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.33, −0.21 |