| Crystal data |
| Chemical formula |
C10H13N2
+·C2H3O2
−·0.5H2O |
|
M
r
|
229.27 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
10.8328 (2), 13.2452 (2), 18.1426 (3) |
| α, β, γ (°) |
111.276 (1), 90.182 (1), 90.125 (1) |
|
V (Å3) |
2425.70 (7) |
|
Z
|
8 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
0.72 |
| Crystal size (mm) |
0.10 × 0.10 × 0.05 |
| |
| Data collection |
| Diffractometer |
Bruker Kappa APEXIII CMOS |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2016 ▸) |
|
T
min, T
max
|
0.705, 0.754 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
49248, 9420, 6239 |
|
R
int
|
0.069 |
| (sin θ/λ)max (Å−1) |
0.619 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.054, 0.142, 1.06 |
| No. of reflections |
9420 |
| No. of parameters |
620 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.22, −0.23 |
