| Crystal data |
| Chemical formula |
C7H4F2N2
|
C9H9F2NO2
|
C18H14F4N2O4
|
|
M
r
|
154.12 |
201.17 |
398.31 |
| Crystal system, space group |
Monoclinic, P21/n
|
Orthorhombic, Pbcn
|
Triclinic, P
|
| Temperature (K) |
100 |
100 |
100 |
|
a, b, c (Å) |
3.7283 (4), 10.5275 (12), 16.9073 (19) |
14.877 (3), 8.9995 (18), 13.635 (3) |
4.6106 (17), 8.839 (3), 10.969 (4) |
| α, β, γ (°) |
90, 94.604 (2), 90 |
90, 90, 90 |
99.330 (8), 99.431 (8), 96.442 (7) |
|
V (Å3) |
661.46 (13) |
1825.6 (6) |
430.7 (3) |
|
Z
|
4 |
8 |
1 |
| Radiation type |
Mo Kα |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.14 |
0.13 |
0.14 |
| Crystal size (mm) |
0.36 × 0.22 × 0.12 |
0.21 × 0.13 × 0.11 |
0.57 × 0.13 × 0.1 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
Bruker APEXII CCD |
Bruker SMART APEXII |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
Tmin, Tmax
|
0.661, 0.746 |
0.973, 0.986 |
0.926, 0.986 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
11242, 2140, 1775 |
29363, 1665, 1265 |
3269, 1913, 1414 |
|
R
int
|
0.029 |
0.114 |
0.023 |
| (sin θ/λ)max (Å−1) |
0.738 |
0.600 |
0.649 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.047, 0.130, 1.09 |
0.060, 0.131, 1.21 |
0.047, 0.150, 1.01 |
| No. of reflections |
2140 |
1665 |
1913 |
| No. of parameters |
108 |
136 |
132 |
| 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 |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.46, −0.23 |
0.20, −0.27 |
0.28, −0.29 |
