| C8H7N3O | Dx = 1.487 Mg m−3 |
| Mr = 161.17 | Melting point: 589(2) K |
| Orthorhombic, Pca21 | Cu Kα radiation, λ = 1.54184 Å |
| a = 13.4535 (5) Å | Cell parameters from 5076 reflections |
| b = 4.9510 (2) Å | θ = 4.1–75.8° |
| c = 21.6188 (8) Å | µ = 0.86 mm−1 |
| V = 1439.99 (10) Å3 | T = 293 K |
| Z = 8 | Prism, colourless |
| F(000) = 672 | 0.60 × 0.45 × 0.35 mm |
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