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 |