Table 4.
Crystal data, data collection and structure refinement for compound VI.
| Compound | VI |
| Empirical formula | C13H9O5Cl3 |
| Formula weight | 351.55 |
| T (K) | 293(2) |
| Wavelength (Å) | 0.71073 |
| Crystal system, space group | monoclinic, P 21/c |
| Unit cell dimensions | |
| a (Å) | 13.0544(3) |
| b (Å) | 15.7053(3) |
| c (Å) | 7.0108(2) |
| β (o) | 104.897(3) |
| Volume (Å3) | 1389.07(6) |
| Z, Dx(Mg/m3) | 4, 1.681 |
| μ (mm-1) | 0.677 |
| F(000) | 712 |
| θ range for data collection (o) | 2.07 – 25.00 |
| hkl range | -15 ≤ h ( 15 |
| -18 ( k ( 18 | |
| -8 ( l ( 8 | |
| Reflections: | |
| collected | 13369 |
| unique (Rint) | 2409(0.019) |
| observed (I > 2((I)) | 2003 |
| Data / restraints / parameters | 2409 / 0 / 191 |
| Absorption correction | multi-scan |
| Goodness-of-fit on F2 | 1.055 |
| R(F) (I > 2σ(I)) | 0.0293 |
| wR(F2) (all data) | 0.0895 |
| Max/min. Δρ (e/ Å 3) | 0.315 / -0.237 |