| Crystal data |
| Chemical formula |
C18H21FN3O4+·C8H7O2−
|
|
M
r
|
497.51 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
120 |
|
a, b, c (Å) |
7.1788 (10), 13.0274 (13), 25.979 (3) |
|
V (Å3) |
2429.6 (5) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.10 |
| Crystal size (mm) |
0.39 × 0.29 × 0.23 |
| |
| Data collection |
| Diffractometer |
Bruker SMART APEXII CCD |
| Absorption correction |
Analytical (SADABS; Krause et al., 2015 ▸) |
|
Tmin, Tmax
|
0.575, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
17036, 5409, 2456 |
|
R
int
|
0.116 |
| (sin θ/λ)max (Å−1) |
0.644 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.060, 0.177, 1.00 |
| No. of reflections |
5409 |
| No. of parameters |
330 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.23, −0.17 |
| Absolute structure |
Flack x determined using 707 quotients [(I+)−(I−)]/[(I+)+(I−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.02 (10) |
