| Crystal data |
| Chemical formula |
C24H19NO5
|
C23H16FNO2
|
C24H19NO3
|
|
M
r
|
401.40 |
357.37 |
369.40 |
| Crystal system, space group |
Triclinic, P
|
Monoclinic, P21/c
|
Monoclinic, P21/n
|
|
a, b, c (Å) |
11.8136 (7), 12.4987 (10), 13.5976 (11) |
7.6021 (6), 20.4880 (13), 10.9319 (7) |
4.9743 (2), 29.1957 (13), 12.4406 (6) |
| α, β, γ (°) |
93.084 (3), 101.883 (2), 95.055 (2) |
90, 96.986 (3), 90 |
90, 100.914 (2), 90 |
|
V (Å3) |
1951.7 (3) |
1690.0 (2) |
1774.05 (14) |
|
Z
|
4 |
4 |
4 |
| μ (mm−1) |
0.10 |
0.10 |
0.09 |
| Crystal size (mm) |
0.25 × 0.16 × 0.06 |
0.14 × 0.14 × 0.10 |
0.45 × 0.06 × 0.04 |
| |
| Data collection |
|
T
min, T
max
|
0.957, 0.994 |
0.917, 0.990 |
0.948, 0.996 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
125792, 9691, 8134 |
3896, 3896, 2995 |
54500, 4142, 3643 |
|
R
int
|
0.049 |
N/A |
0.048 |
| (sin θ/λ)max (Å−1) |
0.667 |
0.652 |
0.653 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.039, 0.106, 1.08 |
0.058, 0.134, 1.05 |
0.037, 0.095, 1.06 |
| No. of reflections |
9691 |
3896 |
4142 |
| No. of parameters |
547 |
245 |
254 |
| No. of restraints |
0 |
0 |
0 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.38, −0.24 |
0.29, −0.28 |
0.27, −0.23 |