Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C12H9N2 +C6H2N3O8 |
| M r | 425.32 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 296 |
| a, b, c () | 10.0984(7), 19.0072(14), 10.5124(7) |
| () | 118.419(2) |
| V (3) | 1774.6(2) |
| Z | 4 |
| 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, 0.970 |
| No. of measured, independent and observed [I > 2(I)] reflections | 35336, 4007, 2551 |
| R int | 0.040 |
| (sin /)max (1) | 0.648 |
| Refinement | |
| R[F 2 > 2(F 2)], wR(F 2), S | 0.042, 0.125, 1.01 |
| No. of reflections | 4007 |
| No. of parameters | 284 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| max, min (e 3) | 0.24, 0.22 |