| Crystal data |
| Chemical formula |
C20H22NO4·1.5C4H4O4
|
C20H21NO4·0.5C4H4O4
|
|
M
r
|
513.48 |
397.43 |
| Crystal system, space group |
Triclinic, P
|
Monoclinic, P21/n
|
| Temperature (K) |
100 |
100 |
|
a, b, c (Å) |
9.5290 (2), 10.5445 (3), 12.6509 (4) |
9.05718 (12), 6.71363 (11), 32.8419 (4) |
| α, β, γ (°) |
91.606 (2), 104.980 (2), 97.823 (2) |
90, 95.9308 (12), 90 |
|
V (Å3) |
1213.87 (6) |
1986.31 (5) |
|
Z
|
2 |
4 |
| Radiation type |
Cu Kα |
Cu Kα |
| μ (mm−1) |
0.92 |
0.80 |
| Crystal size (mm) |
0.17 × 0.08 × 0.03 |
0.22 × 0.11 × 0.11 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Single source at home/near, HyPix3000 |
XtaLAB Synergy, Single source at home/near, HyPix3000 |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2022 ▸) |
Multi-scan (CrysAlis PRO; Rigaku OD, 2022 ▸) |
|
Tmin, Tmax
|
0.862, 1.000 |
0.908, 1.000 |
| No. of measured, independent and observed reflections |
10089, 4366, 3457 [I > 2σ(I)] |
8710, 3589, 3325 [I ≥ 2u(I)] |
|
R
int
|
0.026 |
0.018 |
| (sin θ/λ)max (Å−1) |
0.601 |
0.601 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.047, 0.133, 1.06 |
0.033, 0.087, 1.04 |
| No. of reflections |
4366 |
3589 |
| No. of parameters |
382 |
268 |
| No. of restraints |
282 |
0 |
| 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) |
0.38, −0.39 |
0.27, −0.21 |
