Table 2. Selected crystallographic data of form (I), DMSO-solvate, DMF-solvate, NMP-solvate and DMA-solvate of PNBA.
| Form (I) | DMSO | DMF | NMP | DMA | |
|---|---|---|---|---|---|
| Empirical formula | C7H5NO4 | C9H11NO5S | C10H12N2O5 | C12H14N2O5 | C11H14N2O5 |
| Formula weight | 167.12 | 245.25 | 240.22 | 266.25 | 254.24 |
| Crystal system | Monoclinic | Monoclinic | Triclinic | Triclinic | Triclinic |
| Space group | C2/c | P21/c |
|
|
|
| a (Å) | 21.136 (4) | 22.714 (5) | 6.2359 (10) | 7.1402 (4) | 7.2454 (3) |
| b (Å) | 5.0489 (10) | 7.6639 (15) | 7.3281 (2) | 7.5689 (4) | 7.5178 (3) |
| c (Å) | 12.904 (3) | 13.026 (3) | 12.5359 (3) | 11.9955 (5) | 11.9625 (4) |
| α (°) | 90 | 90 | 102.105 (2) | 98.844 (4) | 92.682 (3) |
| β (°) | 97.00 (3) | 104.68 (3) | 99.957 (2) | 102.693 (4) | 107.121 (3) |
| γ (°) | 90 | 90 | 91.211 (2) | 100.077 (5) | 105.088 (3) |
| Volume (Å3) | 1366.9 (5) | 2193.5 (9) | 550.70 (2) | 610.09 (6) | 595.85 (4) |
| Density (g cm−3) | 1.624 | 1.485 | 1.449 | 1.449 | 1.417 |
| Z | 8 | 8 | 2 | 2 | 2 |