| Crystal data |
| Chemical formula |
C21H23N3O3
|
|
M
r
|
365.42 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
150 |
|
a, b, c (Å) |
8.4440 (3), 14.3013 (5), 15.4233 (6) |
|
V (Å3) |
1862.52 (12) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.09 |
| Crystal size (mm) |
0.28 × 0.18 × 0.17 |
| |
| Data collection |
| Diffractometer |
Bruker D8 QUEST PHOTON 3 diffractometer |
| Absorption correction |
Numerical (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.98, 0.98 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
142315, 7105, 6502 |
|
R
int
|
0.052 |
| (sin θ/λ)max (Å−1) |
0.771 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.037, 0.097, 1.07 |
| No. of reflections |
7105 |
| No. of parameters |
247 |
| No. of restraints |
1 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.29, −0.19 |
| Absolute structure |
Flack x determined using 2747 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.12 (18) |
