Table 1. Crystal Data and Structure Refinement Details for 5c, 5f, 7g, and 7h.
| identification code | 5c | 5f | 7g | 7h |
|---|---|---|---|---|
| formula | C19H20ClN3O | C20H23N3O | C15H10N2O5S | C16H13NO3S |
| MW (g/mol) | 341.83 | 321.41 | 330.31 | 299.33 |
| dcalcd (g cm–3) | 1.268 | 1.219 | 1.589 | 1.455 |
| crystal size (mm) | 0.18 × 0.10 × 0.03 | 0.072 × 0.233 × 0.255 | 0.092 × 0.169 × 0.322 | 0.020 × 0.100 × 0.160 |
| T/K | 223(2) | 104(2) | 104(2) | 100(2) |
| λ (Å) | 0.71073 | 0.71073 | 0.71073 | 1.54178 |
| F(000) | 720 | 688 | 680 | 312 |
| crystal system | triclinic | monoclinic | monoclinic | triclinic |
| space group | P1̅ | P21/c | P21/c | P1̅ |
| a (Å) | 11.0378(3) | 20.1641(12) | 10.3165(4) | 8.9865(3) |
| b (Å) | 11.8494(4) | 5.4625(3) | 11.1535(4) | 9.2432(3) |
| c (Å) | 13.7117(5) | 16.6110(10) | 12.6841(5) | 9.3299(3) |
| α (deg) | 92.880(2) | 90 | 90 | 66.983(2) |
| β (deg) | 90.142(2) | 106.857(2) | 108.871(2) | 79.673(2) |
| γ (deg) | 91.245(2) | 90 | 90 | 73.972(2) |
| V (Å3) | 1790.67(10) | 1751.02(18) | 1381.05(9) | 683.32(4) |
| Z | 4 | 4 | 4 | 2 |
| θ range (deg) | 4.11–25.00 | 2.47–26.37 | 2.49–27.51 | 5.14–68.09 |
| collected reflections | 8979 | 33 271 | 21 467 | 9610 |
| unique reflections; Rint | 6136 [Rint = 0.0381] | 3567 [Rint = 0.0611] | 3169 [Rint = 0.0568] | 2382 [Rint = 0.0348] |
| μ/mm–1 | 0.223 | 0.077 | 0.264 | 2.196 |
| R(Fo), [I > 2σ(I)] | 0.0787 | 0.0672 | 0.0354 | 0.0322 |
| Rw(Fo2) (all data) | 0.1177 | 0.0821 | 0.0486 | 0.0360 |
| GoF (F2) | 1.101 | 1.167 | 1.062 | 1.083 |
| Δρ [e Å–3] | 0.298/–0.249 | 0.269/–0.295 | 0.337/–0.477 | 0.316/–0.363 |
| CCDC number | 1516149 | 1516150 | 1516148 | 1516147 |