| Crystal data |
| Chemical formula |
C22H19N3O4
|
|
M
r
|
389.40 |
| Crystal system, space group |
Monoclinic, P21
|
| Temperature (K) |
173 |
|
a, b, c (Å) |
8.9485 (8), 5.0612 (5), 20.949 (2) |
| β (°) |
96.585 (7) |
|
V (Å3) |
942.54 (16) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.10 |
| Crystal size (mm) |
0.30 × 0.28 × 0.03 |
| |
| Data collection |
| Diffractometer |
Rigaku R-AXIS RAPID |
| Absorption correction |
Multi-scan (ABSCOR; Higashi, 1995 ▸) |
|
T
min, T
max
|
0.749, 0.997 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
9086, 3799, 2635 |
|
R
int
|
0.050 |
| (sin θ/λ)max (Å−1) |
0.649 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.053, 0.126, 1.04 |
| No. of reflections |
3799 |
| No. of parameters |
266 |
| No. of restraints |
1 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.19, −0.16 |
| Absolute structure |
Unknown: Flack x determined using 741 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
−0.8 (9) |
