| Crystal data |
| Chemical formula |
C18H19FN2O |
C18H19ClN2O |
|
M
r
|
298.35 |
314.80 |
| Crystal system, space group |
Monoclinic, P21/c
|
Monoclinic, P21/n
|
| Temperature (K) |
160 |
160 |
|
a, b, c (Å) |
18.2525 (4), 7.07855 (16), 11.2207 (2) |
13.08241 (19), 6.49259 (9), 18.5129 (3) |
| β (°) |
98.556 (2) |
105.5609 (16) |
|
V (Å3) |
1433.59 (6) |
1514.83 (4) |
|
Z
|
4 |
4 |
| Radiation type |
Cu Kα |
Cu Kα |
| μ (mm−1) |
0.78 |
2.25 |
| Crystal size (mm) |
0.18 × 0.15 × 0.02 |
0.33 × 0.12 × 0.08 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Dualflex, Pilatus 200K |
XtaLAB Synergy, Dualflex, Pilatus 200K |
| Absorption correction |
Analytical (CrysAlis PRO; Rigaku OD, 2019 ▸) |
Analytical (CrysAlis PRO; Rigaku OD, 2019 ▸) |
|
T
min, T
max
|
0.921, 0.990 |
0.642, 0.870 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
13058, 2903, 2578 |
14318, 3217, 3052 |
|
R
int
|
0.030 |
0.023 |
| (sin θ/λ)max (Å−1) |
0.625 |
0.636 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.080, 0.233, 1.23 |
0.061, 0.167, 1.08 |
| No. of reflections |
2903 |
3217 |
| No. of parameters |
199 |
199 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.47, −0.38 |
0.81, −0.26 |
