Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C13H16F3N4O+C2F3O2 |
| M r | 414.32 |
| Crystal system, space group | Monoclinic, P21 |
| Temperature (K) | 100 |
| a, b, c () | 5.8780(12), 34.503(7), 8.8120(18) |
| () | 92.42(3) |
| V (3) | 1785.6(6) |
| Z | 4 |
| Radiation type | Synchrotron, = 0.7293 |
| (mm1) | 0.16 |
| Crystal size (mm) | 0.015 0.01 0.01 |
| Data collection | |
| Diffractometer | Bruker APEXII CCD |
| No. of measured, independent and observed [I > 2(I)] reflections | 13709, 3642, 2175 |
| R int | 0.386 |
| max () | 21.5 |
| (sin /)max (1) | 0.502 |
| Refinement | |
| R[F 2 > 2(F 2)], wR(F 2), S | 0.116, 0.261, 0.97 |
| No. of reflections | 3642 |
| No. of parameters | 505 |
| No. of restraints | 193 |
| H-atom treatment | H-atom parameters constrained |
| max, min (e 3) | 0.56, 0.41 |