| Crystal data |
| Chemical formula |
C14H15N2O+·I−
|
|
M
r
|
354.18 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
295 |
|
a, b, c (Å) |
9.2867 (2), 10.8741 (2), 14.3038 (3) |
|
V (Å3) |
1444.46 (5) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
2.21 |
| Crystal size (mm) |
0.25 × 0.17 × 0.07 |
| |
| Data collection |
| Diffractometer |
Rigaku OD Xcalibur, Ruby, Gemini ultra |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2015 ▸) |
|
T
min, T
max
|
0.910, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
18978, 3388, 3115 |
|
R
int
|
0.033 |
| (sin θ/λ)max (Å−1) |
0.666 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.024, 0.053, 1.08 |
| No. of reflections |
3388 |
| No. of parameters |
168 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.53, −0.35 |
| Absolute structure |
Flack x determined using 1207 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
−0.033 (11) |
