| Crystal data |
| Chemical formula |
C15H20NO+·C4H3O4
−
|
C9H15INO+·C4H3O4
−
|
|
M
r
|
345.38 |
395.18 |
| Crystal system, space group |
Triclinic, P
|
Monoclinic, P21/n
|
| Temperature (K) |
120 |
100 |
|
a, b, c (Å) |
7.5177 (4), 9.8339 (6), 12.1951 (7) |
5.7501 (12), 28.272 (6), 9.6402 (19) |
| α, β, γ (°) |
94.387 (1), 94.552 (1), 91.578 (1) |
90, 93.17 (3), 90 |
|
V (Å3) |
895.57 (9) |
1564.8 (6) |
|
Z
|
2 |
4 |
| Radiation type |
Mo Kα |
Synchrotron, λ = 0.96990 Å |
| μ (mm−1) |
0.09 |
4.69 |
| Crystal size (mm) |
0.30 × 0.25 × 0.20 |
0.30 × 0.05 × 0.03 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
Rayonix SX165 CCD |
| Absorption correction |
Multi-scan (SADABS; Sheldrick, 2003 ▸) |
Multi-scan (SCALA; Evans, 2006 ▸) |
|
T
min, T
max
|
0.966, 0.977 |
0.460, 0.860 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
14165, 6555, 3947 |
21875, 3146, 2714 |
|
R
int
|
0.047 |
0.068 |
| (sin θ/λ)max (Å−1) |
0.760 |
0.641 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.053, 0.122, 1.00 |
0.040, 0.100, 1.02 |
| No. of reflections |
6555 |
3146 |
| No. of parameters |
238 |
194 |
| 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) |
0.31, −0.26 |
0.94, −1.21 |
