5'-Hydroxythalidomide (1) |
 Reagents:(a) Z-Cl, NaHCO3, water, (b) ammonia, methanol, (c) acetic anhydride, reflux, (d) H2/10% Pd/C, ethanol, (e) phthalic anhydride, acetic acid, reflux, (f) p-toluenesulfonic acid, methanol, reflux. (Ortep drawing) @Nov. 2003. |
 This structer was produced by RasMol, and stucked by GifBuilder (Yves Piguet, 1997) |
Paper
|
Crystal Structure of 5'-Hydroxythalidomide In Vivo Metabolite of
Thalidomide in Humans. Doi, M., Ijiri, Y., Akagi, M., Uenishi, M. & Urata, H. Anal. Sci. 19, x51-52 (2003). (PDF articles are listed here) |
| formula | C13 H10 N2 O5 | ||
| weight | 274.23 | ||
| symmetry | monoclinic | ||
| space group | C2/c | ||
| Cell | Crystal | ||
| a (A) | 21.724(2) | description | plate |
| b (A) | 7.9633(6) | colour | Colorless |
| c (A) | 13.607(1) | size (mm) | 0.38x0.30x0.10 |
| a (deg) | 90 | Dx (g/ml) | 1.556 |
| b (deg) | 95.924(1) | F(000) | 1136 |
| g (deg) | 90 | m (mm^-1) | 0.122 |
| volume | 2341.4(3) | wavelength (A) | 0.71073 |
| Z | 8 | ||
| Diffrn measurement | Refinementspace | ||
| device type | Bruker AXS SMART APEX | Flack x parameter | --- |
| Rint | 0.0234 | parameters | 185 |
| T (K) | 90 | restraints | 0 |
| q max (deg) | 28.3 | R_factor_gt | 0.0639 |
| reflections obs. | 9927 | wR_factor_gt | 0.1432 |
| reflections for ref. | 2661 .gt. 2s(I) | Dr max (e/A^3) | 0.560 |
| Dr min (e/A^3) | -0.239 | ||
| Structure | D/s max | lt.0.001 | |
| solution | SHELXS-97 | Goodness of fit | 1.248 |
| refinement | SHELXL-97 | fraction for q max | 0.954 |
| Get PDB coordinates |
