| Crystal data |
| Chemical formula |
C22H8F10N2O4Si·0.5C5H12·0.5C4H8O |
C24H22N2O4Si |
C28H30N2O4Si |
|
M
r
|
654.52 |
430.52 |
486.63 |
| Crystal system, space group |
Monoclinic, P21/n
|
Triclinic, P
|
Orthorhombic, P212121
|
| Temperature (K) |
100 |
100 |
100 |
|
a, b, c (Å) |
12.6809 (9), 12.1217 (9), 17.7335 (13) |
8.5662 (8), 8.8343 (8), 14.7801 (14) |
12.5710 (2), 12.68898 (19), 15.3580 (2) |
| α, β, γ (°) |
90, 105.7674 (15), 90 |
93.057 (2), 105.3716 (19), 106.7565 (18) |
90, 90, 90 |
|
V (Å3) |
2623.3 (3) |
1022.45 (17) |
2449.80 (7) |
|
Z
|
4 |
2 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
Cu Kα |
| μ (mm−1) |
0.20 |
0.15 |
1.15 |
| Crystal size (mm) |
0.40 × 0.36 × 0.14 |
0.24 × 0.24 × 0.20 |
0.09 × 0.07 × 0.06 |
| |
| Data collection |
| Diffractometer |
Bruker SMART APEXII CCD platform |
Bruker SMART APEXII CCD platform |
XtaLAB Synergy, Dualflex, HyPix |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
Multi-scan (CrysAlis PRO; Rigaku OD, 2019 ▸) |
|
T
min, T
max
|
0.694, 0.748 |
0.695, 0.746 |
0.674, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
97594, 14595, 9977 |
25883, 6239, 4231 |
22120, 5138, 4847 |
|
R
int
|
0.043 |
0.065 |
0.048 |
| (sin θ/λ)max (Å−1) |
0.881 |
0.715 |
0.634 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.051, 0.163, 1.03 |
0.054, 0.149, 1.05 |
0.032, 0.079, 1.05 |
| No. of reflections |
14595 |
6239 |
5138 |
| No. of parameters |
446 |
284 |
324 |
| No. of restraints |
55 |
0 |
0 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.61, −0.58 |
1.01, −0.44 |
0.27, −0.25 |
| Absolute structure |
– |
– |
Flack x determined using 1985 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
– |
– |
−0.034 (17) |
