Table 1.
Crystallographic details of benexate-saccharinate (BEX–SAC) and benexate-cyclamate (BEX–CYM).
| Parameters | BEX–SAC | BEX–CYM |
|---|---|---|
| Moiety formula | C23H28N3O4·C7H4NO3S·H2O | C23H28N3O4·C6H12NO3S |
| Formula weight | 610.67 | 588.71 |
| Crystal system | Triclinic | Triclinic |
| Space group | P-1 | P-1 |
| a (Å) | 8.8182 (2) | 6.97200 (18) |
| b (Å) | 12.8387 (3) | 10.3577 (3) |
| c (Å) | 14.1237 (4) | 21.5218 (6) |
| α (°) | 82.167 (6) | 103.718 (7) |
| β (°) | 79.787 (6) | 91.536 (6) |
| γ (°) | 70.139 (5) | 96.783 (7) |
| V (Å3) | 1475.06 (8) | 1496.85 (9) |
| Z, Z′ | 2, 1 | 2, 1 |
| T (K) | 173 | 173 |
| Unique ref. | 5291 (Rint = 0.031) | 5377 (Rint = 0.031) |
| Refined parameters | 416 | 394 |
| Goodness-of-fit on F2 | 1.06 | 1.13 |
| Final R indices [I > 2σ (I)] |
R1 = 0.0337 | R1 = 0.0418 |
| CCDC number | 1840914 | 1840913 |