Table 2.
Crystal data and structure refinement for compounds 7, 9, and 10.
| Compound | 7 | 9 | 10 |
|---|---|---|---|
| CCDC deposit no. | |||
| Color/shape | Red/block | Red/block | Red/block |
| Cryst dimens, mm3 | 0.56 0.34 0.20 | 0.50 0.36 0.25 | 0.58 0.37 0.15 |
| Chemical formula | C19H20O3 | C18H14O3 | C19H18O3 |
| Formula weight | 296.35 | 278.29 | 294.34 |
| Temperature, K | 293 (2) | 293 (2) | 293 (2) |
| Crystal system | Orthorhombic | Triclinic | Orthorhombic |
| Space group | P21212 | P-1 | Pmna |
| Unit cell dimension | a = 14.466(1) Å | a = 8.693(2)Å | a = 6.701(1) Å |
| b = 21.358(2) Å | b = 11.811(3)Å | b = 9.195(1) Å | |
| c = 9.8646(9) Å | c = 13.808(3)Å | c = 24.466(4) Å | |
| = 98.32(1) | |||
| = 95.31(1) | |||
| = 103.33(1) | |||
| Volume, Å3 | 3047.8(5) | 1353.3(5) | 1507.7(5) |
| Z | 8 | 4 | 4 |
| Density, Mg/m3 | 1.292 | 1.366 | 1.297 |
| Abs coeff, mm−1 | 0.086 | 0.093 | 0.087 |
| Diffractometer/scan | Bruker CCD | Bruker CCD | Bruker CCD |
| Range, deg | 1.70 to 25.02 | 1.50 to 25.12 | 1.66 to 24.99 |
| Reflections mesd | 16492 | 7399 | 7877 |
| Indepnt reflns (Rint) | 5381 (0.0371) | 4766 (0.0347) | 1449 (0.1026) |
| Obsd reflns [I > 2I] | 3788 | 2239 | 973 |
| Data/params | 5381/383 | 4766/379 | 1449/136 |
| Extinction coeff | 0.0018(5) | 0.000 | 0.000 |
| Goodness of fit on F2 | 1.054 | 0.894 | 1.021 |
| R 1 [I > 2(I)] | 0.0614 | 0.0453 | 0.0550 |
| wR 2 (all data) | 0.0907 | 0.1177 | 0.0827 |
R 1 = ||Fo| − |Fc|| |Fo|, wR2 = [ [w(F02 − Fc2)2] [w(F02)2]]1/2.