| Crystal data |
| Chemical formula |
C7H11N2
+·C2HO4
−·0.22H2O |
C9H14N+·C2HO4
−
|
C4H10NO+·C2HO4
−
|
|
M
r
|
216.21 |
225.24 |
177.16 |
| Crystal system, space group |
Triclinic, P
|
Monoclinic, P21/c
|
Monoclinic, P21/c
|
| Temperature (K) |
101 |
101 |
100 |
|
a, b, c (Å) |
7.5241 (3), 8.2898 (3), 18.7359 (6) |
9.7043 (1), 20.6128 (2), 11.3649 (2) |
5.6867 (3), 12.2465 (8), 12.0831 (6) |
| α, β, γ (°) |
89.738 (3), 79.626 (3), 64.741 (4) |
90, 95.301 (1), 90 |
90, 113.150 (4), 90 |
|
V (Å3) |
1036.17 (7) |
2263.63 (5) |
773.73 (8) |
|
Z
|
4 |
8 |
4 |
| Radiation type |
Cu Kα |
Cu Kα |
Mo Kα |
| μ (mm−1) |
0.95 |
0.84 |
0.13 |
| Crystal size (mm) |
0.22 × 0.12 × 0.12 |
0.23 × 0.21 × 0.15 |
0.12 × 0.08 × 0.06 |
| |
| Data collection |
| Diffractometer |
Rigaku SuperNova, Dual, Cu at zero, Atlas |
Rigaku SuperNova, Dual, Cu at zero, Atlas |
Nonius Kappa CCD |
| Absorption correction |
Gaussian (CrysAlis PRO; Rigaku OD, 2017 ▸) |
Gaussian (CrysAlis PRO; Rigaku OD, 2017 ▸) |
Multi-scan (SORTAV; Blessing, 1997 ▸) |
|
T
min, T
max
|
0.857, 0.918 |
0.875, 0.914 |
0.887, 1.175 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
12774, 4321, 3792 |
23245, 4749, 4309 |
6288, 1769, 1390 |
|
R
int
|
0.024 |
0.026 |
0.075 |
| (sin θ/λ)max (Å−1) |
0.631 |
0.632 |
0.652 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.039, 0.102, 1.03 |
0.032, 0.086, 1.03 |
0.042, 0.110, 1.05 |
| No. of reflections |
4321 |
4749 |
1769 |
| No. of parameters |
290 |
298 |
111 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.64, −0.61 |
0.30, −0.20 |
0.29, −0.27 |
