Table 2.
The crystal structure and refinement data of compound 13.
| Crystal Data | |
| Chemical formula | C15H12N4O |
| Mr | 264.29 |
| Crystal system, space group | Orthorhombic, Pbca |
| Temperature (K) | 100 |
| a, b, c (Å) | 7.8503 (2), 10.1780 (3), 31.9226 (9) |
| V (Å3) | 2550.63 (12) |
| Z | 8 |
| Radiation type | Mo Kα |
| µ (mm−1) | 0.09 |
| Crystal size (mm) | 0.47 × 0.35 × 0.23 |
| Data Collection | |
| Diffractometer | Bruker APEX-II D8 venture diffractometer |
| Absorption correction | Multi-scan, SADABS Bruker 2014 |
| Tmin, Tmax | 0.844, 0.881 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 17978, 2927, 2645 |
| Rint | 0.032 |
| Refinement | |
| R[F2 > 2σ(F2)], wR(F2), S | 0.037, 0.104, 1.04 |
| No. of reflections | 2927 |
| No. of parameters | 190 |
| No. of restraints | 0 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e·Å−3) | 0.36, −0.22 |