Research Article
Cocrystallization of Febuxostat with Pyridine Coformers: Crystal Structural and Physicochemical Properties Analysis
Table 1
Crystallographic parameters of FEB cocrystal and salts.
| | Compounds | FEB-BIP (2 : 1) | FEB-3AP (2 : 1) | FEB-4HP-H2O (1 : 1 : 1) |
| | Empirical formula | C21H20N3O3S | C37H38N6O6S2 | C21H23N3O5S | | Formula weight | 394.46 | 726.85 | 429.48 | | Wavelength(A) | 0.71073 | 0.71073 | 0.71073 | | Crystal system | Triclinic | Triclinic | Triclinic | | Space group | P−1 | P−1 | P−1 | | a (Å) | 9.1689 (5) | 10.6113 (6) | 8.9314 (7) | | b (Å) | 10.9904 (10) | 12.1040(6) | 8.9382 (8) | | c (Å) | 11.8036 (10) | 15.3760 (7) | 14.0069 (11) | | α (°) | 63.220 (9) | 76.703 (4) | 103.517 (7) | | β (°) | 79.983 (6) | 81.454 (4) | 98.686 (6) | | γ (°) | 89.499 (6) | 70.809 (5) | 99.661 (7) | | V (Å3) | 1042.40 (14) | 1809.40 (16) | 1050.46 (16) | | Z | 2 | 2 | 2 | | T/K | 293 (2) | 293 (2) | 293 (2) | | Density (calculated) (g/cm3) | 1.257 | 1.334 | 1.358 | | Absorption coefficient (mm−1) | 0.181 | 0.202 | 0.192 | | Parameters | 260 | 482 | 278 | | F(000) | 414 | 764 | 452 | | Goodness-of-fit on F2 | 1.013 | 1.021 | 1.014 | | Final R indices (I > 2σ(I)) | R1 = 0.0554 | R1 = 0.0467 | R1 = 0.0769 | | ωR2 = 0.1289 | ωR2 = 0.1084 | ωR2 = 0.1333 | | Δρmax/Δρmin (e Å−3) | 0.327/−0.233 | 0.254/−0.232 | 0.673/−0.578 | | CCDC | 2002500 | 2099439 | 2099438 |
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