| Crystal data |
| Chemical formula |
C6H9N2
+·ClO4
−·H2O |
|
M
r
|
226.62 |
| Crystal system, space group |
Monoclinic, P21/n
|
| Temperature (K) |
110 |
|
a, b, c (Å) |
9.1239 (2), 22.1397 (6), 9.5463 (3) |
| β (°) |
101.799 (3) |
|
V (Å3) |
1887.62 (9) |
|
Z
|
8 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.41 |
| Crystal size (mm) |
0.28 × 0.20 × 0.10 |
| |
| Data collection |
| Diffractometer |
Xcalibur2, Oxford Diffraction |
| Absorption correction |
Multi-scan (ABSPACK in CrysAlis PRO; Rigaku OD, 2022 ▸) |
|
T
min, T
max
|
0.894, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
16791, 4422, 3163 |
|
R
int
|
0.041 |
| (sin θ/λ)max (Å−1) |
0.679 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.043, 0.101, 1.04 |
| No. of reflections |
4422 |
| No. of parameters |
299 |
| No. of restraints |
10 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.44, −0.42 |
