Table 2. Crystallographic and measurement details (part II).
| Compound | L-Alanyl-glycyl-L-alanine | Xylitol |
|---|---|---|
| Chemical formula | C8H15N3O4·H2O | C5H12O5 |
| Formula weight (g mol−1) | 235.2418 | 152.1484 |
| Crystal size (mm3) | 0.350 × 0.300 × 0.250 | 0.370 × 0.320 × 0.260 |
| Crystal habit | Needle | Prism |
| Crystal colour | Colourless | Colourless |
| Temperature (K) | 92 (2) | 122.4 (5) |
| Wavelength (Å) | 0.6214 | 0.71073 |
| Unit cell | ||
| a (Å) | 10.224 (6) | 8.264 (4) |
| b (Å) | 4.804 (3) | 8.901 (2) |
| c (Å) | 11.987 (7) | 8.9223 (14) |
| α (°) | 90.00 | 90.00 |
| β (°) | 101.419 (13) | 90.00 |
| γ (°) | 90.00 | 90.00 |
| Volume (Å3) | 577.1 (6) | 656.3 (4) |
| Z | 2 | 4 |
| Space group | P21 | P212121 |
| No. of reflections | 28 133 | 33 102 |
| R int/completeness/redundancy | 0.0302/90.3%/2.99 | 0.0317/100%/3.33 |
| Unique reflections | 9406 | 9942 |
| Unique observed [F/σ(F) > 4] | 8658 | 8894 |
| Reflections θmin (°) | 1.52 | 3.23 |
| Reflections θmax (°) | 50.70 (d = 0.40 Å) | 59.94 (d = 0.41 Å) |