| Crystal data |
| Chemical formula |
C15H16NO+·PF6
−
|
C21H21N2
+·PF6
−
|
|
M
r
|
371.26 |
446.37 |
| Crystal system, space group |
Monoclinic, P21
|
Monoclinic, C
c
|
| Temperature (K) |
296 |
296 |
|
a, b, c (Å) |
6.4320 (2), 9.3645 (3), 13.6070 (5) |
19.4596 (14), 10.7416 (8), 11.9654 (9) |
| β (°) |
101.868 (2) |
125.864 (2) |
|
V (Å3) |
802.06 (5) |
2026.9 (3) |
|
Z
|
2 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.24 |
0.20 |
| Crystal size (mm) |
0.35 × 0.30 × 0.30 |
0.35 × 0.30 × 0.30 |
| |
| Data collection |
| Diffractometer |
Bruker Kappa APEXII CCD |
Bruker Kappa APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2008 ▸) |
Multi-scan (SADABS; Bruker, 2008 ▸) |
|
T
min, T
max
|
0.921, 0.932 |
0.933, 0.943 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
8106, 2867, 2606 |
13796, 3926, 2895 |
|
R
int
|
0.022 |
0.024 |
| (sin θ/λ)max (Å−1) |
0.617 |
0.617 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.032, 0.084, 1.02 |
0.064, 0.203, 1.07 |
| No. of reflections |
2867 |
3926 |
| No. of parameters |
273 |
255 |
| No. of restraints |
140 |
65 |
| 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) |
0.15, −0.14 |
0.49, −0.41 |
| Absolute structure |
Flack (1983 ▸), 1198 Friedel pairs |
Flack (1983 ▸), 1927 Fridel pairs |
| Absolute structure parameter |
0.08 (11) |
0.5 (2) |
