| Crystal data |
| Chemical formula |
C22H29NO2
|
C22H29NO2
|
|
M
r
|
339.46 |
339.46 |
| Crystal system, space group |
Monoclinic, P21/n
|
Orthorhombic, P
c
a21
|
| Temperature (K) |
223 |
223 |
|
a, b, c (Å) |
10.3594 (2), 18.8246 (4), 10.9981 (3) |
9.2049 (5), 25.4468 (17), 8.2451 (6) |
| α, β, γ (°) |
90, 117.889 (1), 90 |
90, 90, 90 |
|
V (Å3) |
1895.65 (8) |
1931.3 (2) |
|
Z
|
4 |
4 |
| Radiation type |
Cu Kα |
Cu Kα |
| μ (mm−1) |
0.59 |
0.58 |
| Crystal size (mm) |
0.40 × 0.25 × 0.10 |
0.35 × 0.05 × 0.03 |
| |
| Data collection |
| Diffractometer |
Nonius KappaCCD APEXII |
Nonius KappaCCD APEXII |
| Absorption correction |
Multi-scan (DENZO; Otwinowski et al., 2003 ▸) |
Multi-scan (DENZO; Otwinowski et al., 2003 ▸) |
|
T
min, T
max
|
0.799, 0.944 |
0.824, 0.983 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
8812, 3077, 2864 |
8312, 2885, 2164 |
|
R
int
|
0.034 |
0.082 |
| (sin θ/λ)max (Å−1) |
0.600 |
0.599 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.045, 0.118, 1.04 |
0.087, 0.231, 1.25 |
| No. of reflections |
3077 |
2885 |
| No. of parameters |
229 |
229 |
| No. of restraints |
0 |
1 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.16, −0.13 |
0.26, −0.25 |