| Crystal data |
| Chemical formula |
C19H23IN+·I−
|
C20H25IN+·I−
|
C21H27IN+·I−
|
|
M
r
|
519.18 |
533.21 |
547.23 |
| Crystal system, space group |
Monoclinic, P21
|
Monoclinic, C2/c
|
Monoclinic, P21/c
|
| Temperature (K) |
298 |
298 |
298 |
|
a, b, c (Å) |
7.9254 (2), 13.6161 (3), 9.4632 (2) |
37.778 (7), 6.6323 (12), 17.021 (3) |
8.9423 (12), 24.058 (3), 10.3749 (13) |
| β (°) |
103.320 (1) |
100.567 (4) |
103.656 (3) |
|
V (Å3) |
993.73 (4) |
4192.3 (13) |
2168.9 (5) |
|
Z
|
2 |
8 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
Mo Kα |
| μ (mm−1) |
3.16 |
3.00 |
2.90 |
| Crystal size (mm) |
0.23 × 0.19 × 0.12 |
0.21 × 0.20 × 0.08 |
0.32 × 0.22 × 0.04 |
| |
| Data collection |
| Diffractometer |
Bruker SMART APEX CCD |
Bruker SMART APEX CCD |
Bruker SMART APEX CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2012 ▸) |
Multi-scan (SADABS; Bruker, 2012 ▸) |
Multi-scan (TWINABS; Bruker, 2012 ▸) |
|
T
min, T
max
|
0.624, 0.745 |
0.349, 0.745 |
0.273, 0.429 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
5791, 3085, 3013 |
16925, 3808, 3114 |
3961, 3961, 2941 |
|
R
int
|
0.016 |
0.079 |
0.079 |
| (sin θ/λ)max (Å−1) |
0.602 |
0.602 |
0.603 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.017, 0.038, 1.08 |
0.052, 0.145, 1.05 |
0.060, 0.138, 1.05 |
| No. of reflections |
3085 |
3808 |
3961 |
| No. of parameters |
202 |
210 |
220 |
| No. of restraints |
1 |
0 |
0 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.27, −0.46 |
1.90, −1.98 |
0.82, −0.80 |
| Absolute structure |
Refined as an inversion twin |
– |
– |
| Absolute structure parameter |
0.02 (3) |
– |
– |
