Table 2.
Sample and crystal data of 1.
| Chemical Formula | C9H8N2O | Crystal System | Orthorhombic | |
|---|---|---|---|---|
| Formula weight (g/mol) | 160.17 | Space group | Pbca | |
| Temperature (K) | 100 | Z | 8 | |
| Measurement method | Φ and ω scans | Volume (Å3) | 1509.4(3) | |
| Radiation (Wavelength (Å)) | MoKα (λ = 0.71073) | Unit cell dimensions (Å) and (°) | 13.6517(13) | 90 |
| Crystal size (mm3) | 0.22 × 0.12 × 0.04 | 6.3663(6) | 90 | |
| Crystal habit | clear colourless plate | 17.3673(17) | 90 | |
| Density (calculated) (g/cm3) | 1.41 | Absorption coefficient/(mm−1) | 0.096 | |
| Abs. correction Tmin | 0.703 | Abs. correction Tmax | 0.746 | |
| Abs. correction type | multi-scan | F(000) (e−) | 672 | |