| Crystal data |
| Chemical formula |
C14H10F3NO |
C14H13NO2
|
|
M
r
|
265.23 |
227.25 |
| Crystal system, space group |
Triclinic, P
|
Monoclinic, P21/c
|
| Temperature (K) |
173 |
173 |
|
a, b, c (Å) |
5.3606 (11), 7.7831 (16), 14.415 (3) |
26.7830 (15), 5.2477 (3), 8.1343 (5) |
| α, β, γ (°) |
77.170 (7), 79.421 (7), 89.719 (7) |
90, 97.594 (2), 90 |
|
V (Å3) |
576.0 (2) |
1133.24 (11) |
|
Z
|
2 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.13 |
0.09 |
| Crystal size (mm) |
0.24 × 0.08 × 0.06 |
0.70 × 0.26 × 0.08 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2018 ▸) |
Multi-scan (SADABS; Bruker, 2018 ▸) |
|
T
min, T
max
|
0.700, 1.000 |
0.518, 1 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
11667, 2201, 1415 |
36318, 2333, 1678 |
|
R
int
|
0.086 |
0.106 |
| (sin θ/λ)max (Å−1) |
0.612 |
0.626 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.068, 0.189, 1.11 |
0.049, 0.126, 1.08 |
| No. of reflections |
2201 |
2333 |
| No. of parameters |
176 |
160 |
| No. of restraints |
1 |
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) |
0.26, −0.32 |
0.20, −0.19 |
