| Crystal data |
| Chemical formula |
C10H9N2
+·C9H5N4O−
|
2C10H9N2
+·C10N6
2−
|
|
M
r
|
342.36 |
518.54 |
| Crystal system, space group |
Triclinic, P
|
Monoclinic, P21/c
|
| Temperature (K) |
123 |
173 |
|
a, b, c (Å) |
7.2514 (1), 10.6647 (2), 11.5619 (2) |
13.4195 (8), 16.1801 (8), 12.9058 (9) |
| α, β, γ (°) |
100.020 (1), 104.372 (1), 92.590 (1) |
90, 116.721 (3), 90 |
|
V (Å3) |
849.27 (3) |
2503.0 (3) |
|
Z
|
2 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.09 |
0.09 |
| Crystal size (mm) |
0.40 × 0.35 × 0.13 |
0.21 × 0.14 × 0.09 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Sheldrick, 2003 ▸) |
– |
|
T
min, T
max
|
0.870, 0.988 |
– |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
6234, 4152, 3447 |
14513, 4607, 2137 |
|
R
int
|
0.017 |
0.086 |
| (sin θ/λ)max (Å−1) |
0.667 |
0.603 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.042, 0.103, 1.02 |
0.067, 0.183, 0.98 |
| No. of reflections |
4152 |
4607 |
| No. of parameters |
259 |
367 |
| No. of restraints |
3 |
0 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.25, −0.20 |
0.38, −0.26 |
