Table 2. Crystallographic Data of AMX Salts.
| parameter | AMX/fumaric acid | AMX/maleic acid | AMX/succinic acid | AMX/malonic acid |
|---|---|---|---|---|
| empirical formula | 2(C17H17ClN3O)+, (C4H3O4)−, (C2HO2)−, 2(H2O) | (C17H17ClN3O)+, (C4H3O4)− | 2(C17H17ClN3O)+, (C4H4O4)2–, 5(H2O) | 2(C17H17ClN3O)+, (C3H2O4)2–, 2(H2O) |
| CCDC number | 1590199 | 1590200 | 1590201 | 1812331 |
| formula weight | 429.85 | 429.85 | 835.72 | 767.65 |
| crystal system | triclinic | monoclinic | monoclinic | monoclinic |
| space group | P1̅ | P21/c | P21/c | P21/c |
| a (Å) | 9.2238(2) | 20.5724(6) | 15.7210(2) | 21.3450(7) |
| b (Å) | 12.4815(2) | 9.8586(3) | 19.4546(3) | 9.9547(3) |
| c (Å) | 17.0725(3) | 9.7866(3) | 25.7568(4) | 17.4738(6) |
| α (deg) | 86.2850(10) | 90 | 90 | 90 |
| β (deg) | 89.375(2) | 97.143(3) | 97.940(2) | 102.057(3) |
| γ (deg) | 82.224(2) | 90 | 90 | 90 |
| V (Å3) | 1943.33(6) | 1969.46(10) | 7802.1(2) | 3631.0(2) |
| Z | 4 | 4 | 8 | 4 |
| ρcalc (g/cm–3) | 1.469 | 1.450 | 1.423 | 1.404 |
| temperature (K) | 100.0(2) | 100.0(2) | 100.0(2) | 100.0(2) |
| μ/mm–1 | 0.237 | 0.234 | 0.236 | 0.241 |
| 2θmin,max (deg) | 5.062, 65.696 | 5.746, 65.678 | 5.078, 65.546 | 4.928, 65.604 |
| F(000) | 896.0 | 896.0 | 3520.0 | 1608.0 |
| hmin,max; kmin,max; lmin,max | –14, 14; –18, 17; –25, 25 | –30, 31; –14, 14; –14, 14 | –23, 23; –28, 29; –38, 38 | –32, 31; –14, 14; –26, 26 |
| total no. of reflections | 43 941 | 43 349 | 183 373 | 67 443 |
| Rint | 0.0249 | 0.0525 | 0.0528 | 0.0546 |
| no. of unique reflections | 13 758 | 7218 | 28 243 | 12 968 |
| R1 [I > 2σ(I)] | 0.0419 | 0.0677 | 0.0699 | 0.0695 |
| wR2 (all data) | 0.1190 | 0.1989 | 0.2243 | 0.2009 |
| GooF on F2 | 1.063 | 1.076 | 1.037 | 1.035 |
| Δρmax,min/e Å–3 | 0.61, −0.29 | 0.50, −0.37 | 1.19, −0.60 | 1.19, −0.51 |