Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C6H8N+C6H2N3O7 |
| M r | 322.24 |
| Crystal system, space group | Triclinic, P
|
| Temperature (K) | 293 |
| a, b, c () | 8.1224(5), 8.7016(5), 11.3161(6) |
| , , () | 98.239(3), 100.318(3), 117.635(3) |
| V (3) | 673.17(7) |
| Z | 2 |
| Radiation type | Mo K |
| (mm1) | 0.13 |
| Crystal size (mm) | 0.35 0.30 0.25 |
| Data collection | |
| Diffractometer | Bruker Kappa APEXII CCD |
| Absorption correction | Multi-scan (SADABS; Bruker, 2004 ▸) |
| T min, T max | 0.952, 0.969 |
| No. of measured, independent and observed [I > 2(I)] reflections | 13299, 2374, 1717 |
| R int | 0.029 |
| (sin /)max (1) | 0.595 |
| Refinement | |
| R[F 2 > 2(F 2)], wR(F 2), S | 0.045, 0.131, 1.07 |
| No. of reflections | 2374 |
| No. of parameters | 212 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| max, min (e 3) | 0.24, 0.25 |