| Crystal data |
| Chemical formula |
C15H12FNO2
|
C16H15NO3
|
|
M
r
|
257.26 |
269.29 |
| Crystal system, space group |
Monoclinic, P21/n
|
Orthorhombic, P
c
a21
|
| Temperature (K) |
294 |
294 |
|
a, b, c (Å) |
14.9527 (5), 5.5152 (2), 16.6918 (5) |
19.1904 (4), 5.33856 (12), 26.5678 (6) |
| α, β, γ (°) |
90, 114.739 (2), 90 |
90, 90, 90 |
|
V (Å3) |
1250.19 (7) |
2721.85 (10) |
|
Z
|
4 |
8 |
| Radiation type |
Cu Kα |
Cu Kα |
| μ (mm−1) |
0.84 |
0.75 |
| Crystal size (mm) |
0.15 × 0.15 × 0.10 |
0.10 × 0.10 × 0.05 |
| |
| Data collection |
| Diffractometer |
Bruker APEX3 |
Bruker APEX3 |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2016 ▸) |
Multi-scan (SADABS; Bruker, 2016 ▸) |
|
T
min, T
max
|
0.848, 0.919 |
0.907, 0.963 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
15703, 2452, 1764 |
51776, 5393, 3796 |
|
R
int
|
0.041 |
0.117 |
| (sin θ/λ)max (Å−1) |
0.619 |
0.619 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.046, 0.122, 1.04 |
0.048, 0.113, 1.02 |
| No. of reflections |
2452 |
5393 |
| No. of parameters |
176 |
371 |
| No. of restraints |
0 |
1 |
| 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) |
0.15, −0.12 |
0.11, −0.13 |
| Absolute structure |
– |
Flack x determined using 1493 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
– |
−0.04 (16) |
