| Crystal data |
| Chemical formula |
C20H24BrNO2
|
|
M
r
|
390.30 |
| Crystal system, space group |
Monoclinic, P21/c
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
21.1019 (3), 9.01359 (11), 10.03985 (11) |
| β (°) |
96.1425 (11) |
|
V (Å3) |
1898.66 (4) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
3.03 |
| Crystal size (mm) |
0.32 × 0.04 × 0.03 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Dualflex, HyPix |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2021 ▸) |
|
T
min, T
max
|
0.424, 0.882 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
21431, 4096, 3783 |
|
R
int
|
0.043 |
| (sin θ/λ)max (Å−1) |
0.638 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.033, 0.096, 1.07 |
| No. of reflections |
4096 |
| No. of parameters |
225 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.58, −0.60 |
