| Crystal data |
| Chemical formula |
2C11H20N+·2Cl−·0.5C4H8O2·H2O |
|
M
r
|
465.53 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
6.4941 (11), 13.491 (2), 15.086 (3) |
| α, β, γ (°) |
102.911 (3), 91.824 (3), 101.500 (3) |
|
V (Å3) |
1258.5 (4) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.28 |
| Crystal size (mm) |
0.2 × 0.05 × 0.05 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2015 ▸) |
|
T
min, T
max
|
0.655, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
35014, 6312, 4285 |
|
R
int
|
0.096 |
| (sin θ/λ)max (Å−1) |
0.670 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.056, 0.105, 1.06 |
| No. of reflections |
6312 |
| No. of parameters |
303 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.49, −0.39 |
