Table 1. Crystallographic data for single crystals of C, HC and their solid solutions.
| C | C:HC ≃ 2:1 | C:HC ≃ 1:2 | C:HC ≃ 1:3 | HC form I | |
|---|---|---|---|---|---|
| a (Å) | 7.7819 (4) | 7.7442 (6) | 7.7308 (7) | 7.76953 (9) | 10.1439 (14) |
| b (Å) | 10.0468 (5) | 10.0968 (8) | 10.1237 (9) | 10.1258 (11) | 12.4255 (16) |
| c (Å) | 23.6401 (13) | 23.6750 (19) | 23.694 (2) | 23.694 (3) | 30.496 (5) |
| Volume (Å3) | 1848.26 (17) | 1851.2 (3) | 1854.4 (3) | 1854.4 (3) | 3843.8 (10) |
| Space group | P212121 | P212121 | P212121 | P212121 | P212121 |
| Moiety formula | C21H28O5 | 0.63(C21H28O5) 0.37(C21H30O5) | 0.36(C21H28O5) 0.64(C21H30O5) | 0.26(C21H28O5) 0.74(C21H30O5) | C21H30O5 |
| M r | 360.43 | 361.18 | 361.71 | 361.92 | 359.42 |
| D x (g cm−3) | 1.295 | 1.296 | 1.296 | 1.306 | 1.242 |
| Z | 4 | 4 | 4 | 4 | 8 |
| R (reflections) | 0.0504 (3395) | 0.0747 (2479) | 0.0715 (1824) | 0.0715 (1824) | 0.0969 (931) |
| Temperature (K) | 296 | 296 | 296 | 296 | 296 |
| C–O distance (Å) | 1.208 | 1.255 | 1.288 | 1.311 | 1.457 |
| Hirshfeld plot of cortisone |
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| Hirshfeld plot of hydrocortisone |
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